4-Cyclohexylbenzenesulfonyl chloride - ≥98% , CAS No.56354-57-5

CAS: 56354-57-5 Cat. No.: C185237 Molecular Weight: 258.8 EC Number: 842-748-8

GRADE & PURITY ≥98%

Synonyms

EN300-10865 | 4-Cyclohexylbenzene-1-sulfonyl chloride | FT-0678488 | STK409593 | 4-Cyclohexylphenylsulfonyl chloride | A869966 | 4-Cyclohexylbenzene-1-sulfonylchloride | 4-cyclohexylbenzenesulfonyl chloride | 4-cyclohexyl-benzenesulfonyl chloride | SCHEMB

Storage

Room temperature,Argon charged

Shipped In

Normal

Specifications

Synonyms

EN300-10865 | 4-Cyclohexylbenzene-1-sulfonyl chloride | FT-0678488 | STK409593 | 4-Cyclohexylphenylsulfonyl chloride | A869966 | 4-Cyclohexylbenzene-1-sulfonylchloride | 4-cyclohexylbenzenesulfonyl chloride | 4-cyclohexyl-benzenesulfonyl chloride | SCHEMB

Specifications & Purity

≥98%

Storage

Room temperature, Argon charged

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 504762967
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504762967
• Canonical Smiles: C1CCC(CC1)C2=CC=C(C=C2)S(=O)(=O)Cl
• IUPAC Name: 4-cyclohexylbenzenesulfonyl chloride
• InChIKey: CREMYEDHKUWVTB-UHFFFAOYSA-N
• INCHI: 1S/C12H15ClO2S/c13-16(14,15)12-8-6-11(7-9-12)10-4-2-1-3-5-10/h6-10H,1-5H2
• Isomeric SMILES: C1CCC(CC1)C2=CC=C(C=C2)S(=O)(=O)Cl
• Molecular Weight: 258.8
• Reaxy-Rn: 3053326
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3053326&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Benzenesulfonyl compounds
        • Level5 Benzenesulfonyl halides
          • Level6 Benzenesulfonyl chlorides

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Benzenesulfonyl compounds
• Intermediate Tree Nodes: Benzenesulfonyl halides
• Direct Parent: Benzenesulfonyl chlorides
• Alternative Parents: Sulfonyls Sulfonyl chlorides Organosulfonic acids and derivatives Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzenesulfonyl chloride - Sulfonyl - Sulfonyl halide - Sulfonyl chloride - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as benzenesulfonyl chlorides. These are aromatic compounds containing a benzenesulfonyl group, where the sulfonyl moiety is singly boned to a chloride atom.
• 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): 52-54℃
• Molecular Weight: 258.760 g/mol
• XLogP3: 4.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 258.048 Da
• Monoisotopic Mass: 258.048 Da
• Topological Polar Surface Area: 42.500 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 306.000
• 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