2-(Methylsulfonyl)-4-nitroaniline

Basic Information

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CAS Number

96-74-2

Molecular Formula

C7H8N2O4S

Molecular Weight

216.21 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Amines

Fine Chemicals Dyes and Pigments Organic Dyes

Basic Physical Properties

Boiling Point

500.6°C at 760 mmHg

SMILES

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

InChI

InChI=1S/C7H8N2O4S/c1-14(12,13)7-4-5(9(10)11)2-3-6(7)8/h2-4H,8H2,1H3

InChIKey

KIMXIMWZIRTKCQ-UHFFFAOYSA-N

LogP

2.76570

Complexity

316

Safety Information

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GHS Hazard Pictograms

H317

Hazard Statement

H317 May cause an allergic skin reaction
Sensitization, Skin

Synonyms & References

English

2-(Methylsulfonyl)-4-nitroaniline
2-METHANESULFONYL-4-NITROPHENYLAMINE
2-methylsulfonyl-4-nitroaniline
1-Amino-2-methylsulphonyl-4-nitrobenzene
2-Mesyl-4-nitroaniline
2-methanesulfonyl-4-nitroaniline
2-Methansulfonyl-4-nitro-anilin
EINECS 202-529-4
Benzenamine, 2-(methylsulfonyl)-4-nitro-
KIMXIMWZIRTKCQ-UHFFFAOYSA-N
2-Methylsulphonyl-4-nitroaniline
2-(Methanesulfonyl)-4-nitroaniline
6779AC
VZ24838
FCH1329483
2-(Methylsulfonyl)-4-nitrobenzenamine (ACI)
Aniline, 2-(methylsulfonyl)-4-nitro- (6CI, 8CI)
2-Amino-5-nitrophenyl methyl sulfone
2-Methanesulfonyl-4-nitroaniline
Methyl 2-amino-5-nitrophenyl sulfone
AKOS015891018
JPB68RZ6WP
AS-10452
NS00040500
DB-057645
96-74-2
MFCD00044068
(4-nitrophenyl)sulfonylmethanamine
CS-0063821
2-(methylsulfonyl)-4-nitroaniline
UNII-JPB68RZ6WP

MDL Number

MFCD00044068

Customs Code

2921420090

FAQ

What are the physical and chemical properties of 2-(Methylsulfonyl)-4-nitroaniline (CAS: 96-74-2)?

2-(Methylsulfonyl)-4-nitroaniline (CAS: 96-74-2) is a crystalline solid with a molecular weight of approximately 210.15 g/mol. It has a solubility of 6.87 mg/mL in water and is slightly soluble in ethanol. This compound is chemically reactive, particularly towards nucleophilic substitution and reduction reactions.

How is 2-(Methylsulfonyl)-4-nitroaniline (CAS: 96-74-2) typically synthesized?

2-(Methylsulfonyl)-4-nitroaniline is typically synthesized through the nitration of 2-(methylsulfonyl)aniline. The reaction often requires concentrated nitric acid and sulfuric acid as the nitrating agent. The yield is generally around 70-80%, and the use of appropriate catalysts can improve selectivity and purity.

What industries use 2-(Methylsulfonyl)-4-nitroaniline (CAS: 96-74-2)?

2-(Methylsulfonyl)-4-nitroaniline (CAS: 96-74-2) is used in the pharmaceutical industry for the synthesis of certain drug intermediates. It also finds applications in the polymer industry for producing functionalized polymers and in the sensor industry for developing gas-sensing materials.

What precautions should be taken when handling 2-(Methylsulfonyl)-4-nitroaniline (CAS: 96-74-2)?

Handling 2-(Methylsulfonyl)-4-nitroaniline (CAS: 96-74-2) requires strict safety measures. Wear appropriate personal protective equipment (PPE) including safety goggles, gloves, and a lab coat. Store the compound in a cool, dry place away from direct sunlight and heat sources. In case of a spill, use protective gloves and appropriate absorbent material to clean up. Refer to the Safety Data Sheet (SDS) for detailed handling instructions and emergency procedures.