2-Bromo-3-chloroaniline

Basic Information

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CAS Number

96558-73-5

Molecular Formula

C6H5BrClN

Molecular Weight

206.47 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Amines

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

41-43 ºC

Boiling Point

277 ºC

Density

1.722

Flash Point

122 ºC

SMILES

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C1=CC(=C(C(=C1)Cl)Br)N

InChI

InChI=1S/C6H5BrClN/c7-6-4(8)2-1-3-5(6)9/h1-3H,9H2

InChIKey

JHHMLFBYFNAPDZ-UHFFFAOYSA-N

LogP

2.6847000000000003

Topological Polar Surface Area

26.02 Å²

Hydrogen Bond Donor/Acceptor

2 / 1

Complexity

99.1

Safety Information

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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Hazard Class

Class 6.1 Class 6.1

Synonyms & References

English

2-Bromo-3-chloroaniline
2-BROMO-3-CHLOROBENZENAMINE
2-Bromo-3-chloro-phenylamine
BENZENAMINE,2-BROMO-3-CHLORO
(2-Bromo-3-chlorophenyl)amine
BENZENAMINE, 2-BROMO-3-CHLORO-
JHHMLFBYFNAPDZ-UHFFFAOYSA-N
Aniline, 2-bromo-3-chloro
MB08909
CM10246
SY025600
AB0027908
W9814
ST24027805
AM20050014
A19779
2-Bromo-3-chlorobenzenamine (ACI)
3-Chloro-2-bromoaniline
2-bromo-3-chloroaniline
GS-4447
96558-73-5
SCHEMBL1381767
J-508209
AKOS015835148
CS-W018623
MFCD10699543
BDBM625968
AS-813/43501517
EN300-105771
DTXSID70474294
AC-28535

MDL Number

MFCD10699543

Customs Code

2921420090

FAQ

What are the physical and chemical properties of 2-Bromo-3-chloroaniline (CAS: 96558-73-5)?

2-Bromo-3-chloroaniline (CAS: 96558-73-5) is a white or yellowish crystalline solid with a molecular weight of 197.01 g/mol. It has a melting point of 78-81°C and is slightly soluble in water. The compound is reactive towards nucleophiles and can undergo substitution reactions. It is used in organic synthesis and as an intermediate in the production of dyes and pharmaceuticals.

How is 2-Bromo-3-chloroaniline (CAS: 96558-73-5) typically synthesized?

2-Bromo-3-chloroaniline (CAS: 96558-73-5) is typically synthesized through the substitution of chlorine with bromine in 3-chloroaniline. Common methods include the use of N-bromosuccinimide (NBS) as a brominating agent in the presence of a radical initiator. The reaction is usually carried out in an inert solvent like hexane or toluene under light or heat conditions.

What industries use 2-Bromo-3-chloroaniline (CAS: 96558-73-5)?

2-Bromo-3-chloroaniline (CAS: 96558-73-5) is primarily used in the pharmaceutical and dye industries. It serves as an intermediate for the synthesis of various pharmaceutical compounds and also finds applications in the production of organic dyes and pigments. Its reactivity towards nucleophiles makes it useful in organic chemistry for creating functionalized aromatic compounds.

What precautions should be taken when handling 2-Bromo-3-chloroaniline (CAS: 96558-73-5)?

When handling 2-Bromo-3-chloroaniline (CAS: 96558-73-5), it is important to wear appropriate personal protective equipment (PPE) such as gloves, safety goggles, and a lab coat. Work should be conducted in a well-ventilated area or a fume hood to prevent inhalation of vapors. Spills should be cleaned up with caution using absorbent materials, and the area should be flushed with water. Always refer to the Safety Data Sheet (SDS) for specific handling and disposal guidelines.