4-Nitrobenzenesulfonyl chloride, 97%

Description

CAS: 98-74-8 | C6H4ClNO4S | 221.61 g/mol

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

Safety and Handling

Hazard Category	H314
Hazard Statement	GHS H Statement H314-H318 Causes severe skin burns and eye damage. Causes serious eye damage.
Precautionary Statement	P260-P264b-P280-P301+P330+P331-P303+P361+P353-P304+P340-P305+P351+P338-P310-P363-P501c
DOTInformation	Transport Hazard Class: 8; Packing Group: II; Proper Shipping Name: CORROSIVE SOLID, ACIDIC, ORGANIC, N.O.S.
EINECSNumber	202-697-9
TSCA	Yes
Recommended Storage	Ambient temperatures; Store under Nitrogen

SDS

RUO – Research Use Only