N-Acetylsulfanilyl chloride - ≥98% , CAS No.121-60-8

CAS: 121-60-8 Cat. No.: N141157 Molecular Weight: 233.67 Beilstein Registry Number: 746676 EC Number: 204-485-1

GRADE & PURITY ≥98%

Synonyms

4-Acetamidobenzene sulfonyl chloride | N-ACETYLSULFANILYL CHLORIDE [MI] | p-Acetylsulphanilyl Chloride | 4-acetylaminobenzene sulfonyl chloride | Chlorure de N-acetylsulfanilyle | EN300-19970 | N-Acetylsulphanilyl chloride | Q26841247 | SR-01000944744 | W

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Overview

L-hydroxyproline has been derivatized with N-acetylsulfanilyl chloride and 5-chlorovaleric acid during the synthesis of the haptens HP1 and HP2.

Specifications

Synonyms

4-Acetamidobenzene sulfonyl chloride | N-ACETYLSULFANILYL CHLORIDE [MI] | p-Acetylsulphanilyl Chloride | 4-acetylaminobenzene sulfonyl chloride | Chlorure de N-acetylsulfanilyle | EN300-19970 | N-Acetylsulphanilyl chloride | Q26841247 | SR-01000944744 | W

Specifications & Purity

≥98%

Storage

Store at 2-8°C, Argon charged

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥98%

Names and Identifiers

• Canonical Smiles: CC(=O)NC1=CC=C(C=C1)S(=O)(=O)Cl
• IUPAC Name: 4-acetamidobenzenesulfonyl chloride
• InChIKey: GRDXCFKBQWDAJH-UHFFFAOYSA-N
• INCHI: 1S/C8H8ClNO3S/c1-6(11)10-7-2-4-8(5-3-7)14(9,12)13/h2-5H,1H3,(H,10,11)
• Isomeric SMILES: CC(=O)NC1=CC=C(C=C1)S(=O)(=O)Cl
• WGK Germany: 3
• RTECS: DB8837500
• Molecular Weight: 233.67
• Beilstein: 746676
• Reaxy-Rn: 746676
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=746676&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Anilides

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Anilides
• Intermediate Tree Nodes: Not available
• Direct Parent: Acetanilides
• Alternative Parents: Benzenesulfonyl chlorides N-acetylarylamines Sulfonyls Sulfonyl chlorides Organosulfonic acids and derivatives Acetamides Secondary carboxylic acid amides Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Acetanilide - Benzenesulfonyl chloride - Benzenesulfonyl group - N-acetylarylamine - N-arylamide - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl chloride - Sulfonyl halide - Sulfonyl - Acetamide - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid derivative - Carbonyl group - Organic nitrogen compound - Organosulfur compound - Organooxygen compound - Organic oxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organopnictogen compound - Organic oxide - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as acetanilides. These are organic compounds containing an acetamide group conjugated to a phenyl group.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Solubility: It is slightly in water. But soluble in benzene, chloroform and ether.
• Sensitivity: Moisture sensitive
• Melt Point(°C): 145-148℃
• Molecular Weight: 233.670 g/mol
• XLogP3: 1.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 232.991 Da
• Monoisotopic Mass: 232.991 Da
• Topological Polar Surface Area: 71.600 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 301.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1