Cas no 5324-75-4 (1-(benzenesulfonyl)-4-bromo-2-methylbenzene)

1-(benzenesulfonyl)-4-bromo-2-methylbenzene structure
5324-75-4 structure
Product Name:1-(benzenesulfonyl)-4-bromo-2-methylbenzene
CAS No:5324-75-4
MF:C13H11BrO2S
MW:311.194241762161
CID:1581498
PubChem ID:220254
Update Time:2025-04-21

1-(benzenesulfonyl)-4-bromo-2-methylbenzene Chemical and Physical Properties

Names and Identifiers

    • 1-(benzenesulfonyl)-4-bromo-2-methylbenzene
    • CTK1H1961
    • NSC2728
    • AC1Q6TOD
    • 4-bromo-2-methyl-1-(phenylsulfonyl)benzene
    • (4-Brom-2-methyl-phenyl)-phenyl-sulfon
    • (4-bromo-2-methyl-phenyl)-phenyl sulfone
    • 2-methyl-4-bromodiphenyl sulphone
    • AR-1G1202
    • AG-J-35792
    • AC1L58IN
    • CTK1H1961; NSC2728; AC1Q6TOD; 4-bromo-2-methyl-1-(phenylsulfonyl)benzene; (4-Brom-2-methyl-phenyl)-phenyl-sulfon; (4-bromo-2-methyl-phenyl)-phenyl sulfone; 2-methyl-4-bromodiphenyl sulphone; AR-1G1202; AG-J-35792; AC1L58IN;
    • DTXSID70277525
    • 5324-75-4
    • NSC-2728
    • 1-(phenylsulfonyl)-4-bromo-2-methylbenzene
    • Inchi: 1S/C13H11BrO2S/c1-10-9-11(14)7-8-13(10)17(15,16)12-5-3-2-4-6-12/h2-9H,1H3
    • InChI Key: OJNHPSZKKXOKBB-UHFFFAOYSA-N
    • SMILES: BrC1C=CC(=C(C)C=1)S(C1C=CC=CC=1)(=O)=O

Computed Properties

  • Exact Mass: 309.96633
  • Monoisotopic Mass: 309.966
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 2
  • Complexity: 341
  • 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: 3.8
  • Topological Polar Surface Area: 42.5?2

Experimental Properties

  • Density: 1.48
  • Boiling Point: 433.2°C at 760 mmHg
  • Flash Point: 215.8°C
  • Refractive Index: 1.607
  • PSA: 34.14
  • LogP: 4.67110
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