4-bromo-2-chloro-1-fluorobenzene
C6H3BrClF
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Identification
- CAS Number
- 60811-21-4
- EC Number
- 405-580-2
- UN Number
- 3082
- Index Number
- 602-089-00-7
- PubChem CID
- 3543065
Physical-chemical properties
- Molecular Formula
- C6H3BrClF
- Molar Mass
- 209.44 g/mol
- IUPAC Name
- 4-bromo-2-chloro-1-fluorobenzene
Chemical Identifiers
- InChI
- InChI=1S/C6H3BrClF/c7-4-1-2-6(9)5(8)3-4/h1-3H
- InChI Key
- CJTIWGBQCVYTQE-UHFFFAOYSA-N
Overview
4-bromo-2-chloro-1-fluorobenzene (CAS 60811-21-4) is a trihalogenated aromatic compound featuring three distinct halogen substituents on a benzene ring. This specialized organohalogen intermediate belongs to the family of polyhalogenated benzenes, compounds that serve as crucial building blocks in pharmaceutical and agrochemical synthesis. The molecule's unique substitution pattern, with bromine at the 4-position, chlorine at the 2-position, and fluorine at the 1-position, provides distinct reactivity profiles that make it valuable for selective synthetic transformations. With a molecular formula of C6H3BrClF and molecular weight of 209.44 g/mol, this compound exhibits the characteristic properties of halogenated aromatics. The presence of three different halogens offers synthetic chemists multiple reactive sites for further functionalization through various coupling reactions, nucleophilic substitutions, and organometallic processes. From a safety perspective, 4-bromo-2-chloro-1-fluorobenzene carries a Warning signal word and requires careful handling due to its classification as Acute Tox. 4, Skin Irrit. 2, and aquatic toxicity categories. The compound falls under ADR transport class 9, indicating it requires specific shipping protocols as a miscellaneous dangerous substance. Primary industrial applications include its use as an intermediate in pharmaceutical synthesis, particularly in the development of fluorinated drug compounds, and as a building block in agrochemical manufacturing. Unlike simpler halogenated aromatics such as 1,2,4-trichlorobenzene, this compound's mixed halogen pattern enables more selective synthetic pathways. It also finds applications in the production of specialty materials and advanced organic synthesis where precise substitution patterns are required. OYSI maintains reliable supply chains for this specialized intermediate, ensuring consistent availability for European chemical manufacturers and research institutions.
Safety & Classification
Acute Tox. 4 *; Skin Irrit. 2; Aquatic Acute 1; Aquatic Chronic 1
GHS Pictograms
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
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
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 | 3082 |
| ADR Class | 9 |
| Packing Group | III |
| Tunnel Code | - |
| Proper Shipping Name | 4-Brom-2-chlorfluorbenzen |
| Marine Pollutant | No |
Frequently Asked Questions
What is 4-bromo-2-chloro-1-fluorobenzene?
4-bromo-2-chloro-1-fluorobenzene is a trihalogenated aromatic compound with the molecular formula C6H3BrClF and CAS number 60811-21-4. This benzene derivative contains three different halogen substituents (bromine, chlorine, and fluorine) positioned at the 4-, 2-, and 1- positions respectively. With a molecular weight of 209.44 g/mol, it serves as an important intermediate in organic synthesis and pharmaceutical manufacturing.
What are the physicochemical properties of 4-bromo-2-chloro-1-fluorobenzene?
4-bromo-2-chloro-1-fluorobenzene is typically a colorless to pale yellow liquid or solid at room temperature, depending on purity and storage conditions. 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 multiple halogens contributes to its relatively high molecular weight and influences its volatility and chemical reactivity.
What is 4-bromo-2-chloro-1-fluorobenzene used for?
4-bromo-2-chloro-1-fluorobenzene is primarily used as a chemical intermediate in pharmaceutical synthesis and fine chemical manufacturing. Its unique halogenation pattern makes it valuable for producing complex organic molecules through cross-coupling reactions, nucleophilic substitutions, and other synthetic transformations. The compound is particularly useful in medicinal chemistry for developing drug candidates and in the production of specialty chemicals requiring specific halogen arrangements.
How to handle 4-bromo-2-chloro-1-fluorobenzene safely?
4-bromo-2-chloro-1-fluorobenzene requires careful handling due to its Acute Tox. 4 and Skin Irrit. 2 classifications. Essential personal protective equipment includes chemical-resistant gloves, safety goggles, and protective clothing to prevent skin and eye contact. Work should be conducted in well-ventilated areas or under fume hoods to minimize inhalation exposure. The Warning signal word indicates moderate hazard levels requiring standard laboratory safety protocols.
How to store 4-bromo-2-chloro-1-fluorobenzene correctly?
4-bromo-2-chloro-1-fluorobenzene should be stored in tightly sealed containers in a cool, dry, well-ventilated area away from direct sunlight and heat sources. As a halogenated compound, it should be kept separate from strong bases, metals, and reducing agents to prevent unwanted reactions. Storage areas should be equipped with appropriate spill containment measures and maintained at stable temperatures to preserve product integrity and minimize degradation.
What to do in case of contact with 4-bromo-2-chloro-1-fluorobenzene?
Immediate action is required following contact with 4-bromo-2-chloro-1-fluorobenzene due to its skin irritant properties. For skin contact, remove contaminated clothing and rinse the affected area with plenty of water for at least 15 minutes. In case of eye contact, flush immediately with clean water for 15 minutes and seek medical attention. If inhaled, move the person to fresh air and monitor breathing. Seek medical advice if symptoms persist or worsen.
How to dispose of 4-bromo-2-chloro-1-fluorobenzene appropriately?
4-bromo-2-chloro-1-fluorobenzene must be disposed of as hazardous waste through licensed waste management companies due to its toxicity and environmental hazard classifications (Aquatic Acute 1, Aquatic Chronic 1). The compound cannot be disposed of in regular waste streams or sewage systems. Disposal methods typically include high-temperature incineration at authorized facilities. Always consult local environmental regulations and waste disposal authorities for specific requirements in your jurisdiction.
How to transport 4-bromo-2-chloro-1-fluorobenzene?
4-bromo-2-chloro-1-fluorobenzene is classified as ADR Class 9 (Miscellaneous dangerous goods), Packing Group III for transportation purposes. This classification requires appropriate packaging, labeling, and documentation according to international dangerous goods regulations. Transport containers must be properly sealed, labeled with hazard markings, and accompanied by safety data sheets. Professional carriers experienced in handling chemical substances should be used to ensure regulatory compliance and safe delivery.
Is 4-bromo-2-chloro-1-fluorobenzene subject to particular regulations?
4-bromo-2-chloro-1-fluorobenzene is subject to standard European chemical regulations including REACH registration requirements and CLP classification obligations. The compound is not currently identified as a Substance of Very High Concern (SVHC). Users must comply with occupational safety regulations, environmental protection laws, and proper chemical handling protocols. Import/export activities may require additional documentation and permits depending on quantities and destinations involved.
Where to buy 4-bromo-2-chloro-1-fluorobenzene in Europe?
4-bromo-2-chloro-1-fluorobenzene is available through OYSI, a specialized European distributor of technical chemicals and pharmaceutical intermediates. OYSI provides reliable supply chains across European markets with proper regulatory documentation and quality assurance. As a professional chemical distributor, OYSI ensures compliance with all relevant safety and transportation regulations while maintaining product quality standards for laboratory and industrial applications throughout Europe.
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Data Sources
Classification per CLP Regulation (EC) No 1272/2008. Data from ECHA and PubChem.