4-Nitrobenzenesulfonyl chloride, 97%, Thermo Scientific Chemicals

Description

4-Nitrobenzenesulfonyl chloride is used as an intermediate for the synthesis of pharmaceuticals like foscmprenavir, darunavir and amprenavir. It is involved in the preparation of N-nosyl-alpha-amino acid for peptide synthesis. It is also used for stereoselective α-glucosylation of partially protected carbohydrates in association with silver tri-fluoromethanesulfonate, N,N-dimethylacetamide and triethylamine. It is widely used for the synthesis of hydroxylamines of sulfadiazine, sulfamethoxazole and [Cu(bipy)2Cl](nbs) (1) (bipy = 2,2'-bipyridine, nbs = 4-nitrobenzenesulfonate).

This Thermo Scientific Chemicals brand product was originally part of the Alfa Aesar product portfolio. Some documentation and label information may refer to the legacy brand. The original Alfa Aesar product / item code or SKU reference has not changed as a part of the brand transition to Thermo Scientific Chemicals.

Applications
4-Nitrobenzenesulfonyl chloride is used as an intermediate for the synthesis of pharmaceuticals like foscmprenavir, darunavir and amprenavir. It is involved in the preparation of N-nosyl-alpha-amino acid for peptide synthesis. It is also used for stereoselective α-glucosylation of partially protected carbohydrates in association with silver tri-fluoromethanesulfonate, N,N-dimethylacetamide and triethylamine. It is widely used for the synthesis of hydroxylamines of sulfadiazine, sulfamethoxazole and [Cu(bipy)2Cl](nbs) (1) (bipy = 2,2′-bipyridine, nbs = 4-nitrobenzenesulfonate).

Solubility
Soluble in toluene, tetrahydrofuran, methylene chloride and ethyl acetate. Insoluble in water.

Notes
Moisture sensitive. Incompatible with strong oxidizing agents and strong bases.

Specifications

Chemical Identifiers

• CAS: 98-74-8
• Molecular Formula: C6H4ClNO4S
• Molecular Weight (g/mol): 221.61
• MDL Number: MFCD00007445
• InChI Key: JXRGUPLJCCDGKG-UHFFFAOYSA-N
• Synonym: 4-nitrobenzenesulfonylchloride, 4-nitrobenzene-1-sulfonyl chloride, benzenesulfonyl chloride, 4-nitro, 4-nitrobenzenesulphonyl chloride, 4-nitrophenylsulfonyl chloride, p-nitrophenylsulfonyl chloride, 4-nitrobenzenesulfonic acid chloride, p-nitrobenzenesulfonyl chloride, 4-nitrobenzenesulphonylchloride, 4-nitro-benzenesulfonyl chloride
• PubChem CID: 7404
• SMILES: [O-][N+](=O)C1=CC=C(C=C1)S(Cl)(=O)=O

• Melting Point: 76°C to 80°C
• Boiling Point: 143°C to 144°C (1.5 mmHg)
• Quantity: 25 g
• UN Number: UN3261
• Beilstein: 746543
• Sensitivity: Moisture sensitive
• Solubility Information: Soluble in toluene,tetrahydrofuran,methylene chloride and ethyl acetate. Insoluble in water.
• IUPAC Name: 4-nitrobenzenesulfonyl chloride
• Formula Weight: 221.62
• Percent Purity: 97%
• Chemical Name or Material: 4-Nitrobenzenesulfonyl chloride

RUO – Research Use Only