2-Bromo-4-chloro-1-nitrobenzene

Basic Information

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CAS Number

63860-31-1

Molecular Formula

C6H3BrClNO2

Molecular Weight

236.45 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Fine Chemicals Dyes and Pigments Organic Dyes

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

49-50 ºC

Boiling Point

253 ºC

Density

1.827

Flash Point

107 ºC

SMILES

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C1=CC(=C(C=C1Cl)Br)[N+](=O)[O-]

InChI

InChI=1S/C6H3BrClNO2/c7-5-3-4(8)1-2-6(5)9(10)11/h1-3H

InChIKey

VFMAPIFSXMBTQP-UHFFFAOYSA-N

LogP

3.53390

Complexity

161

Synonyms & References

English

2-Bromo-4-chloro-1-nitrobenzene
2-BROMO-4-CHLORO-1-NITRO-BENZENE
1-Bromo-5-chloro-2-nitrobenzene
2-Bromo-4-chloronitrobenzene
Benzene, 2-bromo-4-chloro-1-nitro-
2-Brom-4-chlornitrobenzol
4-Nitro-3-bromophenyl chloride
2-bromo-4-chloro-1 nitrobenzene
VFMAPIFSXMBTQP-UHFFFAOYSA-N
AM61617
RP28240
TL8007215
2-bromo-4-chloro-1-nitrobenzene
J-508267
EN300-211328
1-bromo-5-chloro-2-nitrobenzene
AC-27086
AKOS015835262
SY112647
DS-0899
63860-31-1
DTXSID50431860
SCHEMBL1511847
SB38078
2-bromo-4-chloro-1-nitro-benzene
MFCD08437614
CS-W019312

MDL Number

MFCD08437614

Customs Code

2904909090

FAQ

What are the physical and chemical properties of 2-Bromo-4-chloro-1-nitrobenzene (CAS: 63860-31-1)?

2-Bromo-4-chloro-1-nitrobenzene (CAS: 63860-31-1) is a crystalline solid with a molecular weight of approximately 230.02 g/mol. It has poor water solubility but is soluble in organic solvents like ethanol and acetone. This compound is known for its reactivity, particularly in electrophilic aromatic substitution reactions. It is used in the synthesis of various aromatic compounds and pharmaceutical intermediates.

How is 2-Bromo-4-chloro-1-nitrobenzene (CAS: 63860-31-1) typically synthesized?

2-Bromo-4-chloro-1-nitrobenzene can be synthesized through the nitration of 4-chlorobromobenzene. The reaction typically involves the use of concentrated nitric acid and sulfuric acid as a catalyst. The process requires careful control of temperature and concentration to achieve high selectivity and yield. This method is commonly used in academic and industrial settings for the preparation of this aromatic compound.

What industries use 2-Bromo-4-chloro-1-nitrobenzene (CAS: 63860-31-1)?

2-Bromo-4-chloro-1-nitrobenzene is primarily used in the pharmaceutical and chemical industries as an intermediate in the synthesis of various drugs and organic compounds. It is also utilized in the manufacturing of dyes and pigments. Its versatility in organic synthesis makes it a valuable reagent in both academic and industrial research.

What precautions should be taken when handling 2-Bromo-4-chloro-1-nitrobenzene (CAS: 63860-31-1)?

When handling 2-Bromo-4-chloro-1-nitrobenzene (CAS: 63860-31-1), it is essential to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a laboratory coat to protect against skin contact and inhalation. This compound should be handled in a well-ventilated area or a fume hood to minimize exposure. Spills should be immediately cleaned up using appropriate absorbents, and the area should be flushed with water. Always refer to the Safety Data Sheet (SDS) for detailed handling and emergency procedures.