1-bromo-3,5-difluorobenzene
C6H3BrF2
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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 a halogenated aromatic compound with brominated and fluorinated benzene structure used in chemical synthesis applications. This specialized aromatic halide belongs to the family of polyhalogenated benzenes, characterized by the presence of both bromine and fluorine substituents on the benzene ring. With a molecular formula of C6H3BrF2 and molecular weight of 192.99 g/mol, 1-bromo-3,5-difluorobenzene represents an important building block in organic synthesis due to its unique substitution pattern. The compound's structure features a bromine atom at position 1 and fluorine atoms at positions 3 and 5 of the benzene ring, providing distinct reactivity characteristics that make it valuable for selective synthetic transformations. From a safety perspective, this substance requires careful handling as indicated by its GHS classification including flammable liquid category 3, acute toxicity category 4, and skin sensitization properties. The compound carries warning pictograms for fire hazard, health hazard, and environmental concerns, necessitating appropriate personal protective equipment and ventilation systems during use. Its ADR class 3 designation confirms its flammable nature, requiring compliance with transportation regulations for hazardous materials. In industrial applications, 1-bromo-3,5-difluorobenzene serves primarily as an intermediate in pharmaceutical synthesis, agrochemical production, and specialty chemical manufacturing. Its halogenated structure makes it particularly useful in cross-coupling reactions and nucleophilic aromatic substitution processes. Unlike simpler aromatic compounds such as propylbenzene, this polyhalogenated derivative offers enhanced selectivity in synthetic pathways due to its electron-withdrawing substituents. OYSI provides reliable access to 1-bromo-3,5-difluorobenzene for European industrial customers requiring high-quality chemical intermediates for their manufacturing processes.
Safety & Classification
Flam. Liq. 3; Acute Tox. 4 *; STOT RE 2 *; Skin Irrit. 2; Skin Sens. 1; Aquatic Acute 1; Aquatic ...
GHS Pictograms
Flame
GHS02
Flammable. May ignite on contact with air, water, or heat sources.
Exclamation Mark
GHS07
Harmful. May cause irritation, allergic reactions, or drowsiness.
Health Hazard
GHS08
Serious health hazard. May cause cancer, organ damage, or genetic defects.
Environment
GHS09
Environmental hazard. Toxic to aquatic life with long lasting effects.
HHazard Statements (H-Statements)
Describe the nature and severity of the hazard
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
Measures if substance contacts the skin
Ingestion
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 Number | 1993 |
| ADR Class | 3 |
| Packing Group | III |
| Tunnel Code | D/E |
| Proper Shipping Name | 1-Brom-3,5-difluorbenzen |
| Marine Pollutant | No |
Frequently Asked Questions
What is 1-bromo-3,5-difluorobenzene?
1-bromo-3,5-difluorobenzene is an organohalogen compound with the molecular formula C6H3BrF2 and CAS number 461-96-1. This aromatic compound features a benzene ring substituted with one bromine atom and two fluorine atoms at specific positions. 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 an aromatic halide compound, it exhibits low water solubility but good solubility in organic solvents such as alcohols, ethers, and hydrocarbons. The presence of halogen substituents affects its boiling point and density compared to unsubstituted benzene.
What is 1-bromo-3,5-difluorobenzene used for?
1-bromo-3,5-difluorobenzene is primarily used as a building block in organic synthesis, particularly in pharmaceutical and agrochemical industries. It serves as an intermediate for the synthesis of more complex molecules through cross-coupling reactions, nucleophilic substitutions, and other organic transformations. Its unique substitution pattern makes it valuable for creating specific molecular architectures in drug development and specialty chemical production.
How to handle 1-bromo-3,5-difluorobenzene safely?
1-bromo-3,5-difluorobenzene requires careful handling due to its classification as Flam. Liq. 3, Acute Tox. 4, and Skin Sens. 1. Wear appropriate PPE 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 and use non-sparking tools. Avoid skin contact and ensure emergency eyewash stations are accessible.
How to store 1-bromo-3,5-difluorobenzene correctly?
1-bromo-3,5-difluorobenzene should be stored in tightly closed containers in a cool, dry, well-ventilated area away from heat sources and ignition. Keep containers upright and protected from direct sunlight. Store separately from incompatible materials such as strong oxidizers, bases, and reactive metals. Ensure storage areas are equipped with appropriate fire suppression systems and maintain temperatures below the flash point.
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 area with plenty of soap and water for at least 15 minutes. For eye contact, flush immediately with clean water for 15-20 minutes and seek medical attention. If inhaled, move to fresh air immediately. If swallowed, do not induce vomiting and seek immediate medical attention. Always consult a physician if symptoms persist.
How to dispose of 1-bromo-3,5-difluorobenzene properly?
1-bromo-3,5-difluorobenzene must be disposed of according to local and national hazardous waste regulations due to its environmental classification (Aquatic Acute 1). Contact licensed waste disposal companies for proper treatment and disposal. Do not discharge into drains, soil, or water bodies. Small quantities may be suitable for controlled incineration at appropriate facilities. Always check current regulatory requirements before disposal.
How to transport 1-bromo-3,5-difluorobenzene?
1-bromo-3,5-difluorobenzene is classified as ADR Class 3 (flammable liquids), Packing Group III for transportation purposes. It requires appropriate UN-specification packaging and proper labeling with GHS pictograms including GHS02, GHS07, GHS08, and GHS09. Transport vehicles must comply with ADR regulations for Class 3 substances, and drivers require appropriate training and documentation for hazardous goods transport.
Is 1-bromo-3,5-difluorobenzene subject to special regulations?
1-bromo-3,5-difluorobenzene is subject to REACH regulation requirements for registration, evaluation, and authorization in the European Union. It is classified under CLP regulation with specific hazard classifications and labeling requirements. The substance is not currently listed as SVHC (Substance of Very High Concern). Users must comply with occupational exposure limits and environmental protection measures according to national and EU legislation.
Where to buy 1-bromo-3,5-difluorobenzene in Europe?
1-bromo-3,5-difluorobenzene is available through OYSI, a leading European distributor of specialty chemicals and pharmaceutical intermediates. OYSI provides high-quality chemical products with proper documentation, safety data sheets, and regulatory compliance support across Europe. Contact OYSI's technical sales team for availability, specifications, and delivery options to meet your specific requirements for this aromatic halide compound.
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Data Sources
Classification per CLP Regulation (EC) No 1272/2008. Data from ECHA and PubChem.