Alfa Aesar™ 4-(Methylsulfonyl)aniline, ≥97%

Product Code	Brand	Quantity
15422009	Alfa Aesar™ H64697.14	25g
15432009	Alfa Aesar™ H64697.22	100g
15442009	Alfa Aesar™ H64697.36	500g

Description

Applications
It is used as pharmaceutical intermediate. A series of 4-(methylsulfonyl)aniline derivatives were synthesized in order to obtain new compounds as a potential anti-inflammatory agents with expected selectivity against COX-2 enzyme.

Solubility
Soluble in water.

Notes
Light sensitive. Store in cool dry place. Keep container tightly closed. Incompatible with oxidizing agents.

Chemical Identifiers

• CAS: 5470-49-5
• Molecular Weight (g/mol): 171.214
• InChI Key: XJEVFFNOMKXBLU-UHFFFAOYSA-N
• PubChem CID: 79617
• SMILES: CS(=O)(=O)C1=CC=C(C=C1)N

• Molecular Formula: C7H9NO2S
• MDL Number: MFCD00025353
• Synonym: 4-methylsulfonyl aniline, 4-methylsulphonyl aniline, 4-mesylaniline, 4-methanesulfonylaniline, p-methylsulfonyl aniline, benzeneamine, 4-methylsulfonyl, benzenamine, 4-methylsulfonyl, 4-methylsulfonyl benzenamine, 4-methylsulphonylaniline
• IUPAC Name: 4-methylsulfonylaniline

Specifications

• Chemical Name or Material: 4-(Methylsulfonyl)aniline
• Sensitivity: Light sensitive
• Melting Point: 133°C to 138°C
• CAS: 5470-49-5
• MDL Number: MFCD00025353
• Beilstein: 2208425
• Solubility Information: Soluble in water.
• SMILES: CS(=O)(=O)C1=CC=C(C=C1)N
• Molecular Weight (g/mol): 171.214
• Formula Weight: 171.21
• Percent Purity: ≥97%

• Density: 1.44 g/mL
• Color: White
• Quantity: 25g
• Molecular Formula: C7H9NO2S
• UN Number: UN2811
• Synonym: 4-methylsulfonyl aniline, 4-methylsulphonyl aniline, 4-mesylaniline, 4-methanesulfonylaniline, p-methylsulfonyl aniline, benzeneamine, 4-methylsulfonyl, benzenamine, 4-methylsulfonyl, 4-methylsulfonyl benzenamine, 4-methylsulphonylaniline
• InChI Key: XJEVFFNOMKXBLU-UHFFFAOYSA-N
• IUPAC Name: 4-methylsulfonylaniline
• PubChem CID: 79617
• Physical Form: Crystalline Powder