1-bromo-3,5-difluorobenzene

C6H3BrF2

CAS461-96-1
GHS02 Gefahrensymbol: Entzündbar – Flamme
GHS07 Gefahrensymbol: Gesundheitsschädlich/Reizend – Ausrufezeichen
GHS08 Gefahrensymbol: Gesundheitsgefahr – Gesundheitsgefahr
GHS09 Gefahrensymbol: Umweltgefährlich – Umwelt
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Identification

CAS Number
461-96-1
EC Number
416-710-2
UN Number
1993
Index Number
601-073-00-7
PubChem CID
136313

Physical-chemical properties

Molecular Formula
C6H3BrF2
Molar Mass
192.99 g/mol
IUPAC Name
1-bromo-3,5-difluorobenzene

Chemical Identifiers

InChI
InChI=1S/C6H3BrF2/c7-4-1-5(8)3-6(9)2-4/h1-3H
InChI Key
JHLKSIOJYMGSMB-UHFFFAOYSA-N

Overview

1-bromo-3,5-difluorobenzene (CAS 461-96-1) is an aromatic halogenated compound with selective substitution pattern providing enhanced reactivity for synthetic applications. This specialized aromatic bromide represents a valuable building block in organic synthesis and pharmaceutical intermediate production. With its molecular formula C6H3BrF2 and molecular weight of 192.99 g/mol, 1-bromo-3,5-difluorobenzene features a benzene ring substituted with one bromine atom and two strategically positioned fluorine atoms. The unique substitution pattern creates distinct electronic properties that make this compound particularly useful in cross-coupling reactions and advanced synthetic transformations. The compound belongs to the same family of substituted aromatics as propylbenzene, though its halogenated structure provides significantly different reactivity profiles. Safety considerations are paramount when handling this material, as it is classified with multiple hazard categories including flammable liquid (Category 3), acute toxicity, skin irritation, and aquatic toxicity. The GHS pictograms GHS02, GHS07, GHS08, and GHS09 indicate fire, health, serious health, and environmental hazards respectively, requiring appropriate personal protective equipment and ventilation systems. Primary industrial applications include pharmaceutical intermediate synthesis, where the bromine functionality enables palladium-catalyzed coupling reactions, and agrochemical production where the fluorine substituents enhance biological activity. The compound also serves in materials science applications for developing specialized polymers and electronic materials, distinguishing it from simpler aromatics like prop-1-en-2-ylbenzene which lack the reactive halogen functionality. OYSI maintains reliable supply chains for 1-bromo-3,5-difluorobenzene, supporting European chemical manufacturers with consistent quality and regulatory compliance for their synthetic chemistry requirements.

Safety & Classification

Warning
Classification:

Flam. Liq. 3; Acute Tox. 4 *; STOT RE 2 *; Skin Irrit. 2; Skin Sens. 1; Aquatic Acute 1; Aquatic ...

HHazard Statements (H-Statements)

Describe the nature and severity of the hazard

H226

Flammable liquid and vapour.

H302

Harmful if swallowed.

H373

May cause damage to organs through prolonged or repeated exposure.

H315

Causes skin irritation.

H317

May cause an allergic skin reaction.

H400

Very toxic to aquatic life.

H410

Very toxic to aquatic life with long lasting effects.

Classification according to CLP Regulation (EC) No 1272/2008. The complete list of hazard and precautionary statements can be found in the Safety Data Sheet (SDS).

First Aid Measures

Skin Contact

Irritant

Measures if substance contacts the skin

First Aid Actions

  • +P302IF ON SKIN:
  • +P352Wash with plenty of water.
  • +P361Take off immediately all contaminated clothing.
  • +P313Get medical advice/attention.

Related hazard statements:

Ingestion

Harmful

Measures if substance is accidentally swallowed

First Aid Actions

  • +P301IF SWALLOWED:
  • +P330Rinse mouth.
  • +P331Do NOT induce vomiting.
  • +P310Immediately call a POISON CENTER/doctor.

Related hazard statements:

General Measures

Emergency 112 | Poison Control: +49 30 19240 (DE), +33 1 45 42 59 59 (FR), +31 30 274 88 88 (NL)

First aid measures are based on CLP classification and associated P-statements. They do not replace the Safety Data Sheet (SDS). In case of emergency, always consult the full SDS and a physician.

Transport (ADR)

UN Number1993
ADR Class3
Packing GroupIII
Tunnel CodeD/E
Proper Shipping Name1-Brom-3,5-difluorbenzen
Marine PollutantNo

Frequently Asked Questions

What is 1-bromo-3,5-difluorobenzene?

1-bromo-3,5-difluorobenzene is an aromatic halogenated compound with the molecular formula C6H3BrF2 and CAS number 461-96-1. This benzene derivative contains one bromine atom and two fluorine atoms positioned at the 1, 3, and 5 positions respectively on the benzene ring. With a molecular weight of 192.99 g/mol, it serves as an important intermediate in organic synthesis and pharmaceutical manufacturing.

What are the physicochemical properties of 1-bromo-3,5-difluorobenzene?

1-bromo-3,5-difluorobenzene is typically a colorless to pale yellow liquid at room temperature with a characteristic aromatic odor. As a halogenated aromatic compound, it exhibits low water solubility but good solubility in organic solvents such as alcohols, ethers, and hydrocarbons. The presence of both bromine and fluorine substituents influences its reactivity and physical properties, making it relatively stable under normal conditions.

What is 1-bromo-3,5-difluorobenzene used for?

1-bromo-3,5-difluorobenzene is primarily used as an intermediate in organic synthesis, particularly in pharmaceutical and agrochemical manufacturing. It serves as a building block for the synthesis of more complex molecules through various coupling reactions, including Suzuki and Heck reactions. The compound is also utilized in the production of specialty chemicals, dyes, and advanced materials where specific halogen substitution patterns are required.

How to handle 1-bromo-3,5-difluorobenzene safely?

1-bromo-3,5-difluorobenzene requires careful handling due to its flammable and toxic properties. Always wear appropriate personal protective equipment including chemical-resistant gloves, safety goggles, and protective clothing. Work in well-ventilated areas or under fume hoods to avoid inhalation. Keep away from ignition sources, heat, and open flames. Avoid skin contact and ensure emergency shower and eyewash stations are accessible during handling operations.

How to store 1-bromo-3,5-difluorobenzene correctly?

1-bromo-3,5-difluorobenzene should be stored in tightly sealed containers in a cool, dry, well-ventilated area away from heat sources and ignition points. Keep containers away from incompatible materials such as strong oxidizing agents, bases, and reactive metals. Store in secondary containment to prevent spills and ensure proper labeling according to GHS requirements. Maintain storage temperatures below 25°C and protect from direct sunlight.

What to do in case of contact with 1-bromo-3,5-difluorobenzene?

In case of skin contact with 1-bromo-3,5-difluorobenzene, immediately remove contaminated clothing and wash affected areas thoroughly with soap and water for at least 15 minutes. If inhaled, move to fresh air immediately and seek medical attention if breathing difficulties occur. For eye contact, flush with clean water for at least 15 minutes and remove contact lenses if present. Seek immediate medical attention for all exposure incidents.

How to dispose of 1-bromo-3,5-difluorobenzene properly?

1-bromo-3,5-difluorobenzene must be disposed of as hazardous waste through licensed waste management companies in accordance with local and European regulations. Do not discharge into drains, soil, or water bodies due to its aquatic toxicity classification. Contaminated containers and materials should also be treated as hazardous waste. Consult your local environmental authorities for specific disposal requirements and approved waste treatment facilities.

How to transport 1-bromo-3,5-difluorobenzene?

1-bromo-3,5-difluorobenzene is classified under ADR Class 3 (Flammable Liquids), Packing Group III for transportation. It must be packaged in UN-approved containers with proper hazard labels and documentation. Transport vehicles require appropriate placarding and drivers need ADR certification. Ensure compliance with quantity limitations for different transport categories and maintain proper shipping papers during transit throughout Europe.

Is 1-bromo-3,5-difluorobenzene subject to specific regulations?

1-bromo-3,5-difluorobenzene is subject to REACH regulation requirements for registration, evaluation, and authorization within the European Union. It must comply with CLP regulation for classification, labeling, and packaging as indicated by its GHS pictograms and hazard statements. While not currently listed as an SVHC substance, users must ensure compliance with occupational exposure limits and environmental discharge restrictions in their respective countries.

Where to buy 1-bromo-3,5-difluorobenzene in Europe?

1-bromo-3,5-difluorobenzene is available through OYSI, a specialized European distributor of technical chemicals. As an established chemical supplier, OYSI provides this compound with proper documentation, safety data sheets, and regulatory compliance certificates. Contact OYSI directly for availability, packaging options, and delivery throughout Europe. Ensure your supplier provides materials meeting your specific purity and quality requirements for your applications.

Data Sources

Classification per CLP Regulation (EC) No 1272/2008. Data from ECHA and PubChem.