4-bromo-2-chloro-1-fluorobenzene

C6H3BrClF

CAS60811-21-4
GHS07 Gefahrensymbol: Gesundheitsschädlich/Reizend – Ausrufezeichen
GHS09 Gefahrensymbol: Umweltgefährlich – Umwelt
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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 bromine, chlorine, and fluorine substituents on a benzene ring. This specialized halogenated benzene derivative represents an important intermediate in organic synthesis and pharmaceutical chemistry. The compound's molecular formula C6H3BrClF indicates a benzene ring with three different halogen substituents strategically positioned to provide unique reactivity patterns. With a molecular weight of 209.44 g/mol, this tri-substituted aromatic compound offers valuable synthetic versatility due to the distinct electronic and steric properties imparted by each halogen atom. The safety profile of 4-bromo-2-chloro-1-fluorobenzene requires careful handling protocols, as classified under GHS pictograms GHS07 and GHS09 with a Warning signal word. The compound exhibits acute toxicity category 4, skin irritation properties, and significant aquatic toxicity, necessitating appropriate personal protective equipment and environmental precautions during handling and storage. Its classification under ADR class 9 indicates miscellaneous dangerous goods requiring specialized transport considerations. Industrial applications primarily focus on pharmaceutical intermediate synthesis, where the compound serves as a building block for complex active pharmaceutical ingredients. Additionally, it finds use in agrochemical development and specialty chemical manufacturing. Like other halogenated aromatics such as 1,2,4-trichlorobenzene, this compound's multiple halogen substituents make it particularly valuable for cross-coupling reactions and nucleophilic aromatic substitution processes. OYSI maintains reliable supply chains for 4-bromo-2-chloro-1-fluorobenzene, supporting European chemical manufacturers with consistent availability and technical expertise for their specialized synthesis requirements.

Safety & Classification

Warning
Classification:

Acute Tox. 4 *; Skin Irrit. 2; Aquatic Acute 1; Aquatic Chronic 1

HHazard Statements (H-Statements)

Describe the nature and severity of the hazard

H302

Harmful if swallowed.

H315

Causes skin irritation.

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 Number3082
ADR Class9
Packing GroupIII
Tunnel Code-
Proper Shipping Name4-Brom-2-chlorfluorbenzen
Marine PollutantNo

Frequently Asked Questions

What is 4-bromo-2-chloro-1-fluorobenzene?

4-bromo-2-chloro-1-fluorobenzene is a halogenated aromatic compound with the molecular formula C6H3BrClF and CAS number 60811-21-4. This chemical features a benzene ring substituted with three different halogens: bromine at position 4, chlorine at position 2, and fluorine at position 1. With a molecular weight of 209.44 g/mol, it belongs to the class of polyhalogenated benzenes used primarily as synthetic intermediates in organic chemistry 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 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 three different halogens influences its boiling point, density, and reactivity patterns, making it a valuable intermediate for selective chemical transformations in organic synthesis.

What is 4-bromo-2-chloro-1-fluorobenzene used for?

4-bromo-2-chloro-1-fluorobenzene serves primarily as a synthetic intermediate in pharmaceutical and agrochemical industries. Its multiple halogen substituents make it valuable for cross-coupling reactions, nucleophilic substitutions, and other organic transformations. The compound is commonly used in the synthesis of complex molecules where selective halogen replacement is required. It also finds applications in the production of specialty chemicals, dyes, and advanced materials where specific substitution patterns are essential for desired properties.

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. 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. Prevent skin and eye contact, and avoid ingestion. Use proper handling techniques to minimize spills and exposure. Emergency eyewash stations and safety showers should be readily accessible when working with this substance.

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 heat sources and direct sunlight. Keep containers in secondary containment to prevent environmental release, as the compound is classified as Aquatic Acute 1 and Aquatic Chronic 1. Store away from incompatible materials such as strong oxidizers, bases, and metals. Maintain storage temperatures below 25°C and ensure proper labeling with GHS07 and GHS09 pictograms for identification.

What to do in case of contact with 4-bromo-2-chloro-1-fluorobenzene?

In case of skin contact with 4-bromo-2-chloro-1-fluorobenzene, immediately remove contaminated clothing and wash the affected area thoroughly with soap and water for at least 15 minutes. For eye contact, rinse immediately with clean water for 15 minutes, holding eyelids open. If inhaled, move the person to fresh air and seek medical attention if breathing difficulties occur. In case of ingestion, do not induce vomiting and seek immediate medical attention. Always consult the safety data sheet for complete first aid procedures.

How to dispose of 4-bromo-2-chloro-1-fluorobenzene properly?

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. The compound cannot be discharged to sewers or the environment given its Aquatic Acute 1 and Aquatic Chronic 1 classifications. Collect waste in appropriate containers, label clearly, and maintain waste manifests as required by local regulations. Incineration at high temperatures in specialized facilities is typically the preferred disposal method for halogenated organic compounds.

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 with Class 9 hazard labels, and proper shipping documentation. Containers must meet UN packaging specifications and be properly sealed to prevent leakage. Transport vehicles should carry appropriate emergency equipment and drivers must have ADR training certification. Ensure compliance with all applicable transport regulations including proper shipping names and UN identification numbers.

Is 4-bromo-2-chloro-1-fluorobenzene subject to specific regulations?

4-bromo-2-chloro-1-fluorobenzene is subject to REACH regulation requiring registration for manufacture or import above one tonne per year in the EU. The compound is not currently listed as a Substance of Very High Concern (SVHC). It must be classified and labeled according to CLP regulation with Warning signal word and GHS07/GHS09 pictograms. Users must comply with occupational exposure limits, environmental discharge restrictions, and waste management regulations. Safety data sheets must be provided to downstream users as required by chemical legislation.

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 high-quality chemical products. OYSI provides reliable supply chains across Europe with proper documentation, safety data sheets, and regulatory compliance support. As an established chemical distributor, OYSI ensures product quality, appropriate packaging, and adherence to transport regulations. Contact OYSI directly for availability, specifications, and delivery options to your location within Europe. Professional technical support is available to assist with product selection and application guidance.

Data Sources

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