4-Bromo-N-methyl-2-nitroaniline

Basic Information

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CAS Number

53484-26-7

Molecular Formula

C7H7BrN2O2

Molecular Weight

231.05 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

97.5-98 ºC (ligroine )

Boiling Point

316.1°C at 760 mmHg

Density

1.687±0.06 g/cm3 (20 ºC 760 Torr),

Flash Point

144.9°C

Refractive Index

1.652

SMILES

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CNC1=C(C=C(C=C1)Br)[N+](=O)[O-]

InChI

InChI=1S/C7H7BrN2O2/c1-9-6-3-2-5(8)4-7(6)10(11)12/h2-4,9H,1H3

InChIKey

IFTUKVAJYOQKRS-UHFFFAOYSA-N

LogP

2.99520

Complexity

171

Synonyms & References

English

N-(4-Bromo-2-nitrophenyl)-N-methylamine
CS-0036371
4-Bromo-N-methyl-2-nitrobenzenamine
4-bromo-2-nitro-N-methyl-aniline
Benzenamine, 4-bromo-N-methyl-2-nitro-
SCHEMBL339294
SB37550
AKOS009227230
N-Methyl-4-bromo-2-nitroaniline
NSC86688
DTXSID50292998
AS-33360
(4-bromo-2-nitrophenyl)methylamine
53484-26-7
A856097
EN300-69463
(4-Bromo-2-nitro-phenyl)-methyl-amine
IFTUKVAJYOQKRS-UHFFFAOYSA-N
AM20040655
5-bromo-2-methylamino-nitrobenzene
SY123390
4-bromo-n-methyl-2-nitroaniline
MFCD00624242
NSC-86688
4-Bromo-N-methyl-2-nitroaniline
Benzenamine,4-bromo-N-methyl-2-nitro-
(4-bromo-2-nitrophenyl)(methyl)amine
4-Brom-N-methyl-2-nitro-anilin
4-bromo-N-methyl-2-nitro-aniline
N-methyl-4-bromo-2-nitroaniline
(4-Bromo-2-nitrophenyl)methylamine

MDL Number

MFCD00624242

Customs Code

2921430090

FAQ

What are the physical and chemical properties of 4-Bromo-N-methyl-2-nitroaniline (CAS: 53484-26-7)?

4-Bromo-N-methyl-2-nitroaniline (CAS: 53484-26-7) is a white crystalline solid with a molecular weight of approximately 251.04 g/mol. It has a pKa of around 5.2 and is slightly soluble in water. This compound is known for its high reactivity, particularly towards nucleophiles. It is often used in organic synthesis and as an intermediate in the production of dyes and pharmaceuticals.

How is 4-Bromo-N-methyl-2-nitroaniline (CAS: 53484-26-7) typically synthesized?

4-Bromo-N-methyl-2-nitroaniline (CAS: 53484-26-7) is typically synthesized via the nitration of 4-chloro-N-methylaniline followed by bromination. The process involves careful control of reaction conditions to achieve high yields and selectivity. Commonly used catalysts include sulfuric acid, and the reaction often requires cooling to maintain reactivity and control byproducts.

What industries use 4-Bromo-N-methyl-2-nitroaniline (CAS: 53484-26-7)?

4-Bromo-N-methyl-2-nitroaniline (CAS: 53484-26-7) is primarily used in the pharmaceutical industry as an intermediate in the synthesis of various drugs. It is also utilized in the production of dyes and pigments, and it plays a role in the development of sensors and semiconductors due to its unique chemical properties.

What precautions should be taken when handling 4-Bromo-N-methyl-2-nitroaniline (CAS: 53484-26-7)?

When handling 4-Bromo-N-methyl-2-nitroaniline (CAS: 53484-26-7), it is crucial to use appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work should be conducted in a well-ventilated fume hood to minimize exposure. Spills should be cleaned up immediately with appropriate absorbent materials. Always refer to the Material Safety Data Sheet (MSDS) for detailed safety information and emergency procedures.