2-Bromo-1-methyl-4-nitrobenzene

Basic Information

View in Editor

CAS Number

7745-93-9

Molecular Formula

C7H6BrNO2

Molecular Weight

216.03 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

75.0 to 79.0 deg-C

Boiling Point

175°C/38mmHg

Density

1.6841 (rough estimate)

Flash Point

123.4℃

Refractive Index

1.6120 (estimate)

SMILES

View in Editor

CC1=C(C=C(C=C1)[N+](=O)[O-])Br

InChI

InChI=1S/C7H6BrNO2/c1-5-2-3-6(9(10)11)4-7(5)8/h2-4H,1H3

InChIKey

XFZFJQHXWJIBQV-UHFFFAOYSA-N

LogP

3.18890

Complexity

157

Safety Information

View Safety Information

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

2-Bromo-4-nitrotoluene, 98%
XFZFJQHXWJIBQV-UHFFFAOYSA-
NSC402166
MFCD00007195
FT-0652934
3-bromo-4-methyl nitrobenzene
4-nitro-2-bromo toluene
AMY11603
InChI=1/C7H6BrNO2/c1-5-2-3-6(9(10)11)4-7(5)8/h2-4H,1H3
Toluene, 2-bromo-4-nitro-
CS-W009519
3-Bromo-4-methylnitrobenzene
FT-0611469
2-Bromo-4nitrotoluene
A9802
SCHEMBL113519
NSC-402166
SY007277
2-Bromo-4-nitrotoluene
D70928
3-bromo-4-methyl-1-nitrobenzene
2-Bromo4-nitrotoluene
2-Bromo-4-nirotoluene
BR1352
2-bromo-1-methyl-4-nitro-benzene
AC-25924
2-Brom-4-nitrotoluol
EINECS 231-809-9
2-Bromo-1-methyl-4-nitrobenzene #
7745-93-9
DTXSID20228163

MDL Number

MFCD00007195

FAQ

What are the physical and chemical properties of 2-Bromo-1-methyl-4-nitrobenzene (CAS: 7745-93-9)?

2-Bromo-1-methyl-4-nitrobenzene is a crystalline solid with a molecular weight of approximately 222.03 g/mol. It has a density of about 1.38 g/cm³ and is slightly soluble in water. This compound is highly reactive, especially towards nucleophilic substitution and reduction reactions. It is commonly used in the synthesis of dyes, pharmaceuticals, and other organic compounds.

How is 2-Bromo-1-methyl-4-nitrobenzene (CAS: 7745-93-9) typically synthesized?

2-Bromo-1-methyl-4-nitrobenzene is typically synthesized through the bromination of 1-methyl-4-nitrobenzene using bromine in the presence of a Lewis acid like aluminum bromide. This process involves the electrophilic aromatic substitution of bromine at the meta position, followed by the introduction of the methyl group. The yield is usually good, and the selectivity is high for this position.

What industries use 2-Bromo-1-methyl-4-nitrobenzene (CAS: 7745-93-9)?

2-Bromo-1-methyl-4-nitrobenzene is used in various industries. It is a key intermediate in the production of dyes, pharmaceuticals, and organic compounds. Specifically, it plays a role in the synthesis of new drugs, dyes for textiles, and materials for electronic and semiconductor applications.

What precautions should be taken when handling 2-Bromo-1-methyl-4-nitrobenzene (CAS: 7745-93-9)?

When handling 2-bromo-1-methyl-4-nitrobenzene, it is essential to wear personal protective equipment (PPE) such as gloves, goggles, and a lab coat. This compound is highly reactive and can cause skin irritation and respiratory issues. It should be handled in a well-ventilated fume hood. In case of a spill, immediately clean up using appropriate absorbents and follow the safety data sheet (SDS) guidelines for disposal. For more detailed information, refer to the SDS.