Cas no 4163-80-8 (1,2,4-trichloro-5-methylsulfonyl-benzene)

1,2,4-trichloro-5-methylsulfonyl-benzene structure
4163-80-8 structure
Product Name:1,2,4-trichloro-5-methylsulfonyl-benzene
CAS No:4163-80-8
MF:C7H5Cl3O2S
MW:259.537398099899
CID:927185
PubChem ID:20115
Update Time:2025-04-19

1,2,4-trichloro-5-methylsulfonyl-benzene Chemical and Physical Properties

Names and Identifiers

    • 1,2,4-trichloro-5-methylsulfonyl-benzene
    • 1,2,4-trichloro-5-methylsulfonylbenzene
    • 1,2,4-Trichloro-5-(methylsulfonyl)benzene
    • 2,4,5-Trichlorophenyl methyl sulfone
    • benzene, 1,2,4-trichloro-5-(methylsulfonyl)-
    • Sulfone, methyl 2,4,5-trichlorophenyl
    • 1,2,4-Trichloro-5-(methylsulfonyl)benzene #
    • BLRLBBXZXPUHIH-UHFFFAOYSA-N
    • DTXSID10194444
    • AO-801/41077567
    • METHYL 2,4,5-TRICHLOROPHENYL SULFONE
    • 4163-80-8
    • SCHEMBL15461575
    • Q27274090
    • UNII-ARV6UUL1CO
    • ARV6UUL1CO
    • Inchi： 1S/C7H5Cl3O2S/c1-13(11,12)7-3-5(9)4(8)2-6(7)10/h2-3H,1H3
    • InChI Key： BLRLBBXZXPUHIH-UHFFFAOYSA-N
    • SMILES： ClC1C=C(C(=CC=1S(C)(=O)=O)Cl)Cl

Computed Properties

  • Exact Mass: 257.90775
  • Monoisotopic Mass: 257.907583
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 1
  • Complexity: 272
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 42.5
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: 3

Experimental Properties

  • Density: 1.553
  • Boiling Point: 399.1°C at 760 mmHg
  • Flash Point: 195.2°C
  • Refractive Index: 1.568
  • PSA: 34.14

1,2,4-trichloro-5-methylsulfonyl-benzene Related Literature

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