1-bromo-2-methyl-4-nitro-benzene

Basic Information

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CAS Number

7149-70-4

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

78-80 °C

Boiling Point

143°C/17mmHg

Density

1.6841 (rough estimate)

Flash Point

114.3℃

Refractive Index

1.6120 (estimate)

SMILES

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

InChI

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

InChIKey

HIMGPQVBNICCGL-UHFFFAOYSA-N

LogP

3.18890

Complexity

157

Safety Information

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GHS Hazard Pictograms

H302

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

1-Bromo-2-methyl-4-nitrobenzene #
Benzene, 1-bromo-2-methyl-4-nitro-
7149-70-4
1-bromo-2-methyl-4-nitro benzene
NSC72323
2-Bromo-5-nitrotoluene, 98%
SCHEMBL8337770
HIMGPQVBNICCGL-UHFFFAOYSA-
MFCD00007281
EN300-95608
Toluene, 2-bromo-5-nitro-
AKOS005145631
InChI=1/C7H6BrNO2/c1-5-4-6(9(10)11)2-3-7(5)8/h2-4H,1H3
bromo(5-)-2-nitrotoluene
CS-W014876
B1853
4-Bromo-3-methylnitrobenzene
AN-584/43447528
NS00043846
STR06684
AMY40727
FT-0611502
1-Bromo-2-methyl-4-nitrobenzene
2Bromo-5-nitrotoluene
J-508416
2-Bromo-5-nitrotoluene
SCHEMBL85170
1-bromo-2-methyl-4-nitro-benzene
DTXSID10991930
NSC-72323
HIMGPQVBNICCGL-UHFFFAOYSA-N

MDL Number

MFCD00007281

Customs Code

2904909090

FAQ

What are the physical and chemical properties of 1-bromo-2-methyl-4-nitro-benzene (CAS: 7149-70-4)?

1-Bromo-2-methyl-4-nitro-benzene is a crystalline solid with a molecular weight of approximately 228.04 g/mol. It has a low solubility in water but is more soluble in organic solvents like ethanol, acetone, and dichloromethane. This compound is known for its reactivity towards nucleophiles, particularly in substitution reactions, and its stability under acidic and basic conditions varies depending on the specific reaction conditions.

How is 1-bromo-2-methyl-4-nitro-benzene (CAS: 7149-70-4) typically synthesized?

1-Bromo-2-methyl-4-nitro-benzene is commonly synthesized through the reaction of 4-nitrobenzyl bromide with 2-methylphenol in the presence of a base such as sodium hydroxide. The reaction proceeds via a nucleophilic substitution mechanism, yielding the desired product with good selectivity and yield.

What industries use 1-bromo-2-methyl-4-nitro-benzene (CAS: 7149-70-4)?

1-Bromo-2-methyl-4-nitro-benzene is used in various industries, particularly in the pharmaceutical sector for the synthesis of certain drug intermediates. It also finds applications in the production of dyes, pigments, and as an intermediate in the development of new materials such as polymers and sensors. Its use in semiconductor industry is less common but can be relevant for specific applications requiring specific chemical functionalities.

What precautions should be taken when handling 1-bromo-2-methyl-4-nitro-benzene (CAS: 7149-70-4)?

When handling 1-bromo-2-methyl-4-nitro-benzene, it is essential to wear appropriate personal protective equipment (PPE), including gloves, goggles, and a laboratory coat. Work should be conducted in a fume hood to minimize exposure to fumes. Spills should be handled carefully using appropriate absorbent materials, and the area should be cleaned thoroughly. Always refer to the Safety Data Sheet (SDS) for detailed information on handling, storage, and disposal.