3,4,5-Trifluoro Bromo Benzene
3,4,5-Trifluoro Bromo Benzene is a polyfluorinated aryl bromide that pairs a reactive carbon–bromine handle with three fluorines locked onto the ring. That combination makes it a first-choice building block for pharmaceutical cross-coupling chemistry, agrochemical intermediates, and liquid crystal mesogens, wherever a polyfluorophenyl fragment needs to be installed through a Suzuki, Negishi or Grignard-type step.
Chelora Chemicals supplies this grade to pharmaceutical CDMOs, agrochemical formulators, electronic materials houses and fine chemical manufacturers worldwide, from laboratory quantities through to contracted drum programmes, with a batch COA and GHS safety data sheet on every consignment.
Product identity
- CAS Number
- 138526-69-9
- IUPAC name
- 1-Bromo-3,4,5-trifluorobenzene
- Molecular formula
- C6H2BrF3
- Molecular weight
- 210.98 g/mol
- EC / EINECS
- 418-480-9
- MDL number
- MFCD00070738
- SMILES
- Brc1cc(F)c(F)c(F)c1
- HS Code
- 2903 99*
* Confirm the exact HS heading with your customs broker — classification of polyhalogenated aromatic hydrocarbons varies between destination tariffs.
What 3,4,5-Trifluoro Bromo Benzene is used for
3,4,5-Trifluoro Bromo Benzene carries three fluorine atoms and one bromine on a single benzene ring, arranged so the bromine sits opposite the middle fluorine of the three. The fluorines are essentially inert under the conditions the molecule is normally used in — they stay put and quietly do their job of tuning electronics, lipophilicity and metabolic stability in whatever the bromine is used to build. The C–Br bond, by contrast, is the reactive handle: it undergoes halogen–metal exchange with n-butyllithium or forms a Grignard reagent, and it is a standard partner for Suzuki, Negishi and related palladium-catalysed cross-coupling reactions.
In practice this molecule is a specialty fine-chemical building block rather than a bulk commodity. It moves in laboratory-to-pilot quantities into pharmaceutical discovery and CDMO synthesis, and in larger contracted volumes into agrochemical and liquid-crystal production once a route has been locked down.
Why the substitution pattern matters
Trifluorophenyl building blocks come in several substitution patterns, and each one places the bromine relative to the fluorines differently — which changes both the electronics at the reactive carbon and the exact structure everything downstream inherits:
- 3,4,5-Trifluoro Bromo Benzene (CAS 138526-69-9) — this product. Bromine flanked symmetrically by fluorines at the 3, 4 and 5 positions.
- 2,4,5-Trifluorobromobenzene and other regioisomers — different fluorine placement relative to the bromine, giving a different reactivity profile and a different final structure once coupled.
- Mono- and di-fluoro bromobenzenes — lower-fluorination analogues used where only partial electronic tuning is required.
If your purchase order simply says "trifluorobromobenzene", quote us the CAS number and we will confirm the correct isomer before the order is placed. We source the wider fluoroaromatic family as well — see our full intermediate range for related grades.
Appearance and handling character
This grade ships as a colourless to pale yellow liquid, well below its melting point at any normal ambient or shipping temperature, so freeze-thaw damage to packaging is not a concern the way it is with a solid intermediate. It has a flash point in the mid-40s °C, so it is classed as a flammable liquid rather than a highly volatile one, and it should still be kept away from ignition sources and stored below that margin. It is largely immiscible with water but miscible with common organic solvents. Read the safety section below before planning any handling: this material carries a suspected carcinogenicity notation alongside its flammability and aquatic hazard classifications, and that should shape your controls from the outset.
| Parameter | Typical value |
|---|---|
| Appearance | Colourless to pale yellow liquid |
| Assay (GC) | 98.0% min |
| Moisture (KF) | 0.1% max |
| Refractive index (20 °C) | 1.480 – 1.484 |
| Regioisomeric impurities | 1.0% max |
| Non-volatile residue | Reported per batch |
Important: the figures above are indicative of commercial grade material and are offered for planning only. The batch certificate of analysis is the governing document. If your synthesis demands a tighter assay, a specific regioisomer limit, a controlled metal-residue figure for a cross-coupling step, or a moisture ceiling, send us the specification and we will quote against it rather than against a generic grade.
| Property | Value |
|---|---|
| Physical state | Liquid at ambient |
| Melting point | < −20 °C |
| Boiling point | ≈ 140 °C @ 760 mmHg (≈ 47–49 °C @ 60 mmHg, reduced pressure) |
| Flash point | ≈ 45 °C |
| Relative density (25 °C) | ≈ 1.767 |
| Refractive index | ≈ 1.482 |
| Water solubility | Low; practically immiscible |
| Organic solubility | Miscible with common ethers, hydrocarbons & chlorinated solvents |
| Odour | Faint aromatic |
Physical constants compiled from public supplier reference data for CAS 138526-69-9 and rounded for readability. Treat them as orientation, not as a specification.
Where our customers put this molecule to work
This is a specialty cross-coupling building block rather than a single-outlet commodity. Its demand is concentrated in pharmaceutical discovery and manufacture, agrochemical synthesis, and fluorinated electronic and liquid-crystal materials.
Pharmaceutical intermediates
A trifluorophenyl bromide is a common way to install a metabolically stable, electron-tuned aryl group in drug candidates. The bromine is exchanged for a boronic acid, a Grignard or an organolithium and carried into Suzuki, Negishi or direct arylation chemistry.
- Suzuki & Negishi cross-coupling partner
- Halogen–metal exchange to Grignard / lithium reagents
- See our pharmaceutical intermediate range
Agrochemical intermediates
Fluorinated aromatics are a growing share of modern herbicide, fungicide and insecticide chemistry, where multiple fluorines improve target-site binding and environmental persistence characteristics. This bromide is a building block for that class of active.
- Cross-coupling into fluorinated agro actives
- Fungicide & herbicide intermediate chemistry
- See our agrochemical intermediate range
Liquid crystal & electronic materials
Polyfluorinated phenyl fragments are a recurring motif in liquid crystal mesogens used in display technology, where the fluorines fine-tune dielectric anisotropy and thermal stability without adding significant colour.
- Mesogen synthesis via cross-coupling
- Low-colour, high-purity grades available
- Custom purity specifications on request
Cross-coupling & organometallic building block
Beyond any single end market, this bromide is a general-purpose partner for palladium-catalysed coupling and for generating trifluorophenyl Grignard or lithium reagents used across custom synthesis programmes.
- Halogen–metal exchange chemistry
- Suzuki, Negishi & Kumada coupling partner
- Directed ortho-metalation substrate
Fine & custom synthesis
A dependable, well-characterised fluoroaromatic for R&D groups building novel trifluorophenyl-substituted structures where the exact isomer and low metal-residue profile matter more than volume.
- Laboratory and pilot quantities
- Available in trial pack sizes
- Full analytical characterisation on request
Contract & scheduled supply
Once a discovery-stage route moves into scale-up, CDMO and agrochemical buyers want tonnage released against a validated production plan rather than a single spot shipment. We hold inventory and release it to your schedule.
- Contracts with scheduled call-off as programmes scale
- Price held across the contract period
- Second source held in reserve
How we supply 3,4,5-Trifluoro Bromo Benzene
Chelora Chemicals is a supplier and sourcing partner, not a manufacturer. We own no fluorination plant — and for a regiochemistry-sensitive building block like this one, that independence works in your favour. We are never obliged to push you whatever a captive unit happens to be running that month.
Instead we place your order with whichever qualified producer best matches your assay, your regioisomer tolerance, your metal-residue requirement and your delivery window.
We keep a second qualified source on this line. When a plant goes down for maintenance, or export logistics for a fluorination-grade intermediate are disrupted, your programme switches source rather than stalling.
- Specification read against the CAS first. We confirm you need 138526-69-9 and not a different regioisomer, before we quote a price.
- Batch COA shared before dispatch. You approve the assay, moisture, refractive index and impurity profile against your own spec while the material is still in our warehouse.
- Hazard status stated up front. This material is a flammable liquid with a suspected carcinogenicity notation and an aquatic hazard classification, and we say so at enquiry stage — not in the small print of a document pack that arrives with the goods.
- Pre-shipment samples for qualification. New account or new source, your R&D team runs a lab-scale coupling trial before the full quantity ever moves.
- Packing chosen for a flammable liquid. Correct UN-approved containers, venting and cold-chain options where required for temperature-sensitive lab quantities.
- Export machinery handled in-house. Hazard classification, UN-approved packing, labelling, freight booking and customs paperwork are ours to manage.
- Consolidation onto one bill of lading. Ship this bromide alongside other fluoroaromatic and fine-chemical intermediates from our range — one invoice, one shipment, one counterparty.
Packed the way your lab or plant receives it
Pack format drives your landed cost, your headspace management and your handling effort — and for a flammable liquid, it also drives your storage-area compliance. Tell us how it will be charged at your end and we will quote the format that suits your operation.
Amber glass bottles & vials
UN-approved amber glass with PTFE-lined caps for laboratory and pilot-scale quantities, protecting the liquid from light and minimising headspace oxidation.
UN-approved steel & poly drums
Lined steel or HDPE drums rated for flammable liquids, with vented closures where required, for scale-up and contracted commercial quantities.
Bulk liquid transport
For validated, high-volume programmes, ISO tank containers or flexitanks reduce packing cost per litre and cut the number of individual containers to manage.
Trial & qualification packs
Small, tightly-sealed samples with temperature-controlled courier options where a customer's stability protocol calls for it, so your chemistry team can qualify the lot before committing.
Incoterms to suit you
Quoted on the Incoterm your purchasing team works to. Ocean, air and road freight arranged end-to-end with flammable-liquid documentation filed before booking.
Programme despatch
Pharmaceutical and agrochemical scale-up runs to a validated production plan, not a calendar month. We hold contracted volume and release it against your schedule.
Handle this as a flammable, suspected-carcinogen liquid
This is the point on the page that matters most. 3,4,5-Trifluoro Bromo Benzene is a flammable liquid that causes skin irritation and serious eye damage, may cause respiratory irritation, is suspected of causing cancer, and is toxic to aquatic life with long-lasting effects. The summary below is orientation only — the safety data sheet supplied with your consignment is the authoritative document and should govern your risk assessment, PPE selection, exposure monitoring and emergency planning.
Classified hazards
H226Flammable liquid and vapour.H315Causes skin irritation.H318Causes serious eye damage.H335May cause respiratory irritation.H351Suspected of causing cancer.H401 / H411Toxic to aquatic life, with long lasting effects.
Hazard statements reflect the harmonised GHS classification commonly published for CAS 138526-69-9. Supplier classifications may differ in detail; always read the SDS issued with your specific batch, and treat the flammability and carcinogenicity entries as the ones that shape your controls.
Spill & emergency orientation
Plan your response before the drum arrives, not after a container leaks. The points below are orientation for your emergency planners — sections 4, 5 and 6 of the SDS are the authoritative instructions and should be posted at the point of use.
- Eliminate ignition sources first. With a flash point around 45 °C, warm storage or hot-work nearby is a real risk — remove sources of ignition before addressing a spill.
- Contain, do not hose. The material is toxic to aquatic life. Absorb spilled liquid onto inert material into a labelled, closed container; never wash it to a drain.
- Assume vapour irritation. Ventilate the area and use appropriate respiratory protection when handling a spill of any size, given the respiratory-irritation classification.
- Treat skin and eye contact seriously. H315/H318 apply — flush affected skin and eyes with water immediately and seek medical attention for eye exposure.
- Have the SDS with the casualty. The treating clinician needs the product identity, CAS number and hazard classification in hand, particularly given the suspected-carcinogen notation.
Storage
- Cool, dry, well-ventilated store, kept below the flash point margin and away from direct sunlight, heat sources and any ignition risk.
- Keep containers tightly closed with vented closures rated for flammable liquids, to manage vapour build-up safely.
- Segregate from oxidising agents, strong bases and reactive metals. Store in an area rated for Class 3 flammable liquids where local regulation requires it.
- Access-controlled, bunded storage. For a suspected carcinogen with an aquatic hazard classification, restricting who can reach the store and containing any leak is part of the control, not an administrative nicety.
- Shelf life is typically 12–24 months in sealed original packing under these conditions. Re-assay before use after long storage, particularly for cross-coupling applications sensitive to moisture and trace metals.
Handling & PPE
- Design exposure out, do not manage it down. For a suspected carcinogen the hierarchy of control matters: closed transfer first, ventilation second, PPE last.
- Skin and eye protection are the priority. Chemical-resistant gloves, coveralls and chemical goggles or a face shield, given the skin-irritation and serious eye-damage classifications.
- Respiratory protection where vapour concentration may build up — particularly in confined spaces or during bulk transfer — per your own exposure assessment.
- Eliminate ignition sources in the handling area: no open flames, static discharge control, and appropriately rated electrical equipment given the flammable-liquid classification.
- Never discharge to drain or watercourse. H401/H411 apply — collect waste as regulated chemical waste and dispose of it accordingly.
Transport
This material moves as regulated cargo, typically under UN 1993 (flammable liquid, n.o.s. — Class 3, Packing Group III on the reference safety data). We classify each consignment, apply UN-approved packaging and labelling, and file the dangerous-goods declaration before the booking is made. The applicable UN number, class and packing group are stated on your shipping documents and SDS — ask us for the current DG paperwork when you plan the shipment.
What travels with every consignment
A fine chemical shipment is only as good as the file that travels with it. Verifying what the source plant sends is precisely the work you are buying from a supplier.
Certificate of Analysis
Batch-specific assay by GC, moisture by Karl Fischer, refractive index, appearance and regioisomeric impurity profile — checked against your purchase specification before we release the goods.
GHS Safety Data Sheet
Full 16-section SDS in GHS format covering hazards, exposure controls, handling, storage, spill response, toxicology and disposal — issued in the language your destination requires.
Dangerous Goods Declaration
UN number, hazard class, packing group and IMDG or IATA declaration prepared and filed before the shipment is booked, with correctly marked and labelled flammable-liquid packaging.
Certificate of Origin
Chamber-attested where required, plus preferential-origin forms where a trade agreement gives your import duty relief at the destination.
Third-party inspection
SGS, Intertek or Bureau Veritas sampling and inspection arranged on request before loading, giving you independent verification of what actually ships.
Retained & pre-shipment samples
Pre-shipment samples carry the same COA as the commercial lot, so what your laboratory qualifies is exactly what arrives. Retention samples held against the batch.
The two routes onto this ring
Almost every commercial route to this bromide starts from one of two directions: electrophilic bromination of the pre-formed trifluorobenzene ring, or a bromodediazoniation of the corresponding trifluoroaniline. Understanding which door a producer used explains why regiochemical purity is the parameter that matters most. The routes below are the general industrial pattern, not a process disclosure.
Start with the ring
1,2,3-Trifluorobenzene or 3,4,5-trifluoroaniline provides the fluorinated aromatic core that the bromine is installed onto.
Door one — brominate
Electrophilic bromination of 1,2,3-trifluorobenzene with a catalyst installs the bromine at the position para to the central fluorine.
Door two — diazotise
3,4,5-Trifluoroaniline is diazotised and treated under Sandmeyer-type conditions to replace the diazonium group with bromine, a route favoured when regiochemical purity is the priority.
Finish to grade
The crude bromide is purified by distillation, then standardised to whatever the end market demands — a technical grade for agro intermediates, or a high-purity, low-metal grade for pharmaceutical cross-coupling.
Why regiochemical purity carries through the whole route
Both doors act on the same ring, and any regioisomer that forms alongside the target molecule follows it down the line into the coupling step:
- Regioisomeric bromides couple in parallel under Suzuki or Negishi conditions and give structurally similar but subtly different products — a difficult-to-separate impurity in a pharmaceutical intermediate.
- Residual water is generally tolerable for storage but interferes with Grignard formation and with sensitive palladium-catalysed coupling steps downstream.
- Trace metal residues from the bromination or diazotisation step can poison a subsequent catalytic coupling if not controlled at source.
- Colour bodies from over-bromination or incomplete purification can complicate downstream chromatography and crystallisation in high-purity applications.
That chain of consequences is the reason we quote against your written specification rather than a generic "98% technical" grade, and the reason the batch COA is shared for approval before dispatch rather than sent with the invoice.
| Intermediate | Principal outlet |
|---|---|
| 3,4,5-Trifluoro Bromo Benzene CAS 138526-69-9 — this product | Pharmaceutical cross-coupling Agrochemical intermediates Liquid crystal mesogens |
| 1,2,3-Trifluorobenzene Upstream feedstock | Bromination feedstock Directed metalation substrate |
| 3,4,5-Trifluoroaniline Alternative precursor | Diazotisation route to this bromide Amide & urea intermediate chemistry |
If your route calls for the feedstock or the precursor instead, we supply those as well — see our full fluoroaromatic range. Send the CAS number and we will confirm the correct material before quoting.
What actually moves the price of this intermediate
This is not a commodity with a screen price. Knowing what drives the quote helps you time a purchase and read whether an offer is realistic.
Programme-driven demand
Demand tracks the discovery, scale-up and commercial stages of the pharmaceutical and agrochemical programmes that use this building block, rather than a seasonal industrial cycle.
- Small, frequent orders at discovery stage
- Larger contracted call-off once scaled
- Lead times can extend around a scale-up event
Specialty fluorination capacity
Selective aromatic fluorination and controlled bromination both require dedicated capacity and handling expertise, which is more limited than general aromatic chemistry capacity and prices accordingly.
- Fewer qualified producers than bulk aromatics
- HF and bromine feedstock costs feed through
- We flag feedstock-driven moves in the quote
Regulatory pressure
A flammable-liquid and suspected-carcinogen classification raises the compliance cost of producing, storing and moving this material, and that cost sits inside the price.
- Handling obligations vary by jurisdiction
- Some markets apply extra import scrutiny to fine chemicals
- We check destination rules before quoting
Pack format & purity tier
Cost per kilo falls sharply from gram-scale amber glass to bulk drums — but a pharmaceutical-grade, low-metal-residue spec always carries a premium over a technical agrochemical grade regardless of pack size.
- Lab packs carry the highest cost per gram
- Purity tier matters as much as volume
- Tell us the end use so we don't over-spec you
Freight & DG surcharges
This is regulated cargo, so ocean and air freight carry a hazardous-goods surcharge and space is tighter than for general cargo. Destination and Incoterm move landed cost as much as the ex-works price does.
- Compare on landed cost, not ex-works
- DG space books out ahead of peak season
- We quote FOB, CIF, CFR or DDP as you prefer
Source availability
A plant turnaround or a shift in export licensing for specialty fluorochemicals can take capacity offline at short notice. Single-sourced buyers feel this hardest, especially once a supply chain is locked into a validated programme.
- We hold a second qualified source on this line
- Qualify the alternate before you need it
- Ask us about dual-source contracts
| If your end use is… | Specify |
|---|---|
| Pharmaceutical cross-coupling | High assay, low metal residue, tight regioisomer limit |
| Agrochemical intermediate | Technical grade; moisture and assay the critical parameters |
| Liquid crystal mesogen synthesis | Low-colour, ultra-high purity, tight isomer control |
| Grignard / organolithium chemistry | Low moisture, dry-packed, inert-atmosphere handling |
| Laboratory / R&D | Small pack, high purity, full analytical pack |
Not sure which column you are in? Describe the coupling or reaction you are running and our technical desk will recommend the grade — including telling you when a cheaper specification would do the job just as well.
Support that goes beyond shipping the drum
What our technical desk will do
- Match a grade to your reaction. Tell us the coupling step you are running and we will recommend the specification — and say so plainly when a tighter, costlier grade would add nothing.
- Be straight about the hazard profile. We state the flammability, suspected-carcinogen and aquatic hazard classifications at enquiry stage so your EHS team can price the controls into the decision, rather than meeting them for the first time on the label.
- Advise on handling and storage for your site conditions — flammable-liquid storage in a research lab is a different problem from bulk drum storage in a pilot plant.
- Review your specification before it goes into a contract, so you are not locked into a limit that no plant can consistently hit.
Regulatory & compliance notes
- Flammable-liquid storage obligations are jurisdiction-specific. Several regimes impose storage-area classification, ventilation and quantity-threshold requirements for Class 3 liquids. Confirm what applies at your site before the first delivery.
- Suspected-carcinogen handling obligations vary. Where a local regime treats an H351 classification as triggering substitution review or exposure monitoring, your EHS function owns that programme; we flag the classification at enquiry stage.
- Import controls vary by destination. Some jurisdictions apply registration, licensing or end-use declaration requirements to specialty fluorochemicals used in pharmaceutical or agrochemical synthesis. We check the destination rules before quoting, not after you have raised the PO.
- Chemical inventory listings differ between regions. Confirm your obligations under the applicable inventory regime for your import volume — we will supply the identity data you need for that filing.
None of the above is legal advice — your own regulatory affairs team owns the final compliance position for your import and your workplace. What we commit to is giving you accurate product identity data, an honest statement of the hazard classification and complete documentation to work from.
From enquiry to delivered drum
Send the specification
Product name or CAS 138526-69-9, the assay and impurity limits you work to, quantity, pack preference and destination port.
Receive a firm quote
Pricing, lead time, packing and Incoterm confirmed in writing within 24 hours — our sourcing desk is staffed around the clock.
Qualify and approve
Sample dispatched if you are qualifying a new source. Batch COA shared for your approval before the material is released.
Ship and track
DG classification filed, freight booked, export documents issued, and the consignment tracked through transit and clearance to your plant or lab.
Often bought alongside this grade
Consolidate several fluoroaromatic and fine-chemical intermediates onto one shipment and one invoice. These are the building blocks our pharmaceutical, agrochemical and electronic-materials customers most often order in the same programme. Each of the names below is part of our wider product range — browse the full listing or ask us for the specific CAS number you need.
What buyers ask us about 3,4,5-Trifluoro Bromo Benzene
Is this material flammable, and is it a suspected carcinogen?
Can I use a different trifluorobromobenzene isomer instead?
What purity do you normally supply?
What is the minimum order quantity?
How long does delivery take?
Does the boiling point given match what I see on other datasheets?
Why does the liquid discolour slightly on storage?
How should we store it, and what is the shelf life?
Is this a dangerous good? What paperwork comes with it?
- Batch certificate of analysis
- GHS-format safety data sheet
- Dangerous-goods declaration with UN number, class and packing group
- Commercial invoice, packing list and bill of lading or airway bill
- Certificate of origin and any destination-specific forms
Do you supply to my country?
Do you manufacture this yourself?
Can you hold stock against a scale-up plan?
Request pricing on 3,4,5-Trifluoro Bromo Benzene
Send your required assay, quantity, pack format and destination port. Our sourcing desk is available 24 hours a day, 7 days a week, and comes back with pricing, lead time and packing options — whether that is a single gram-scale sample or a contracted drum programme for a validated production run.