(4-Chlorophenyl)methanesulfonyl chloride - ≥95% , CAS No.6966-45-6

CAS: 6966-45-6 Cat. No.: C186093 Molecular Weight: 225.1 EC Number: 625-385-8

GRADE & PURITY ≥95%

Synonyms

4-Chlorobenzylsulfonyl chloride, 97% | AR2921 | (4-Chlorophenyl)methanesulfonyl chloride | (4-chloro-phenyl)methanesulfonyl chloride | (4-Chloro-phenyl)-methanesulfonyl chloride | (4-Chlorophenyl)-methanesulfonyl chloride | (4-chlorophenyl)methane-sulfony

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Synonyms

4-Chlorobenzylsulfonyl chloride, 97% | AR2921 | (4-Chlorophenyl)methanesulfonyl chloride | (4-chloro-phenyl)methanesulfonyl chloride | (4-Chloro-phenyl)-methanesulfonyl chloride | (4-Chlorophenyl)-methanesulfonyl chloride | (4-chlorophenyl)methane-sulfony

Specifications & Purity

≥95%

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

≥95%

Names and Identifiers

• Canonical Smiles: C1=CC(=CC=C1CS(=O)(=O)Cl)Cl
• IUPAC Name: (4-chlorophenyl)methanesulfonyl chloride
• InChIKey: DBJRPJSDYFDWPV-UHFFFAOYSA-N
• INCHI: 1S/C7H6Cl2O2S/c8-7-3-1-6(2-4-7)5-12(9,10)11/h1-4H,5H2
• Isomeric SMILES: C1=CC(=CC=C1CS(=O)(=O)Cl)Cl
• WGK Germany: 3
• Molecular Weight: 225.1
• Reaxy-Rn: 2692662
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2692662&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Halobenzenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Chlorobenzenes
• Alternative Parents: Aryl chlorides Sulfonyls Sulfonyl chlorides Organosulfonic acids and derivatives Organochlorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Chlorobenzene - Aryl halide - Aryl chloride - Sulfonyl - Sulfonyl halide - Sulfonyl chloride - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organochloride - Organohalogen compound - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as chlorobenzenes. These are compounds containing one or more chlorine atoms attached to a benzene moiety.
• 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

• Sensitivity: Moisture sensitive
• Melt Point(°C): 93-97 °C
• Molecular Weight: 225.090 g/mol
• XLogP3: 2.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 223.947 Da
• Monoisotopic Mass: 223.947 Da
• Topological Polar Surface Area: 42.500 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 224.000
• 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