Cas no 37891-95-5 (Benzene,1-[(bromomethyl)sulfonyl]-4-methyl-)

Benzene,1-[(bromomethyl)sulfonyl]-4-methyl- structure
37891-95-5 structure
Product Name:Benzene,1-[(bromomethyl)sulfonyl]-4-methyl-
CAS No:37891-95-5
MF:C8H9BrO2S
MW:249.124860525131
CID:323172
PubChem ID:232635
Update Time:2025-04-19

Benzene,1-[(bromomethyl)sulfonyl]-4-methyl- Chemical and Physical Properties

Names and Identifiers

    • Benzene,1-[(bromomethyl)sulfonyl]-4-methyl-
    • 1-(bromomethylsulfonyl)-4-methylbenzene
    • 1-(BROMOMETHYLSULFONYL)-4-METHYL-BENZENE
    • AC1L5OBO
    • AC1Q6TXW
    • AR-1I0801
    • Brommethyl-p-tolyl-sulfon
    • bromomethyl 4-methylphenyl sulfone
    • bromomethyl 4-tolyl sulfone
    • bromomethyl p-tolyl sulfone
    • bromomethyl p-tolyl sulphone
    • bromomethyl-p-tolyl sulfone
    • CTK4H8962
    • NSC30371
    • SureCN3630250
    • DTXSID50283205
    • 1-BROMOMETHANESULFONYL-4-METHYLBENZENE
    • SCHEMBL3630250
    • 37891-95-5
    • 1-(Bromomethanesulfonyl)-4-methylbenzene
    • KMWBOUMDQCYJHD-UHFFFAOYSA-N
    • NSC-30371
    • 1-((bromomethyl)sulfonyl)-4-methylbenzene
    • AKOS004912398
    • 1-[(bromomethyl)sulfonyl]-4-methylbenzene
    • Inchi: 1S/C8H9BrO2S/c1-7-2-4-8(5-3-7)12(10,11)6-9/h2-5H,6H2,1H3
    • InChI Key: KMWBOUMDQCYJHD-UHFFFAOYSA-N
    • SMILES: BrCS(C1C=CC(C)=CC=1)(=O)=O

Computed Properties

  • Exact Mass: 247.95067
  • Monoisotopic Mass: 247.951
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 2
  • Complexity: 222
  • 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
  • XLogP3: 3.1
  • Topological Polar Surface Area: 42.5?2

Experimental Properties

  • Density: 1.55
  • Boiling Point: 358.9°C at 760 mmHg
  • Flash Point: 170.8°C
  • Refractive Index: 1.567
  • PSA: 34.14
  • LogP: 3.20190

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