2-Bromo-3-methylaniline

Basic Information

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CAS Number

54879-20-8

Molecular Formula

C7H8BrN

Molecular Weight

186.05 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Amines

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Boiling Point

48 ºC

Density

1.489

Flash Point

>110 ºC

Refractive Index

1.605

SMILES

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CC1=C(C(=CC=C1)N)Br

InChI

InChI=1S/C7H8BrN/c1-5-3-2-4-6(9)7(5)8/h2-4H,9H2,1H3

InChIKey

VJNUZLYTGSGDHR-UHFFFAOYSA-N

LogP

2.3397200000000002

Topological Polar Surface Area

26.02 Å²

Hydrogen Bond Donor/Acceptor

2 / 1

Complexity

94.9

Safety Information

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Hazard Class

Class 6.1 Class 6.1

Synonyms & References

English

J-508231
2-bromo-3-methyl aniline
A7968
2-bromo-3-methyl-phenylamine
SY020694
SCHEMBL5768
EN300-100622
Z1255379702
2-Bromo-3-methylaniline, 98%
DTXSID30345330
FT-0651192
AS-18412
AKOS015835169
CL8387
Benzenamine, 2-bromo-3-methyl-
AM20060670
CS-W007900
54879-20-8
2-Bromo-3-methylaniline
MFCD06411367
2-Bromo-3-methylphenylamine
2-bromo-3-methylaniline

MDL Number

MFCD06411367

Customs Code

2921430090

FAQ

What are the physical and chemical properties of 2-Bromo-3-methylaniline (CAS: 54879-20-8)?

2-Bromo-3-methylaniline (CAS: 54879-20-8) is a white crystalline solid with a molecular weight of approximately 170.01 g/mol. It has a melting point of 58-60°C and is slightly soluble in water. This compound is known for its reactivity, particularly in nucleophilic substitution reactions, due to the presence of the bromine and amino groups.

How is 2-Bromo-3-methylaniline (CAS: 54879-20-8) typically synthesized?

2-Bromo-3-methylaniline (CAS: 54879-20-8) is typically synthesized via the bromination of 3-methylaniline using N-bromosuccinimide (NBS) as the brominating agent. The reaction is carried out in an inert solvent like dichloromethane under light or UV light exposure, yielding a high percentage of the desired product with good selectivity.

What industries use 2-Bromo-3-methylaniline (CAS: 54879-20-8)?

2-Bromo-3-methylaniline (CAS: 54879-20-8) is primarily used in the pharmaceutical industry for the synthesis of certain organic compounds and intermediates. It also finds applications in the production of dyes and pigments, as well as in the development of sensors and semiconductors.

What precautions should be taken when handling 2-Bromo-3-methylaniline (CAS: 54879-20-8)?

When handling 2-Bromo-3-methylaniline (CAS: 54879-20-8), it is essential to wear appropriate personal protective equipment (PPE), including gloves, safety goggles, and a lab coat. This compound should be used in a well-ventilated area or a fume hood to minimize exposure. Spills should be cleaned up carefully, and the area should be decontaminated. Always refer to the Safety Data Sheet (SDS) for specific handling and disposal guidelines.