Cas no 142994-02-3 (4-Bromo-2-(methylsulfonyl)benzoic acid)

4-Bromo-2-(methylsulfonyl)benzoic acid structure
142994-02-3 structure
Product Name:4-Bromo-2-(methylsulfonyl)benzoic acid
CAS No:142994-02-3
MF:C8H7BrO4S
MW:279.107780694962
MDL:MFCD04037926
CID:108072
PubChem ID:2761057
Update Time:2025-04-18

4-Bromo-2-(methylsulfonyl)benzoic acid Chemical and Physical Properties

Names and Identifiers

    • 4-Bromo-2-(methylsulfonyl)benzoic acid
    • Benzoic acid,4-bromo-2-(methylsulfonyl)-
    • 4-bromo-2-(methylsulphonyl)benzoic acid
    • AC1MC42W
    • ACMC-20a33t
    • Ambpe2008081
    • CTK4C3425
    • PubChem18620
    • SureCN1085171
    • 4-bromo-2-methylsulfonylbenzoic acid
    • 4-bromo-2-methanesulfonylbenzoic acid
    • 5-Bromo-2-carboxyphenyl methyl sulphone
    • Benzoic acid, 4-bromo-2-(methylsulfonyl)-
    • LSUJRBJIQNLQKL-UHFFFAOYSA-N
    • 7002AA
    • 4-Bromo-2-(methylsulfonyl)benzoicAcid
    • TRA0
    • 4-bromo-2-(methanesulfonyl)benzoic acid
    • SY007115
    • 4-bromo-2-methanesulfonyl-benzoic acid
    • FT-0686405
    • DTXSID30375511
    • SCHEMBL1085171
    • AKOS015835492
    • PS-5972
    • A885038
    • 142994-02-3
    • EN300-203890
    • 4-Bromo-2-(methylsulfonyl)benzoic acid, AldrichCPR
    • MFCD04037926
    • DB-008868
    • MDL: MFCD04037926
    • Inchi: 1S/C8H7BrO4S/c1-14(12,13)7-4-5(9)2-3-6(7)8(10)11/h2-4H,1H3,(H,10,11)
    • InChI Key: LSUJRBJIQNLQKL-UHFFFAOYSA-N
    • SMILES: BrC1C=CC(C(=O)O)=C(C=1)S(C)(=O)=O

Computed Properties

  • Exact Mass: 277.92481
  • Monoisotopic Mass: 277.925
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 2
  • Complexity: 319
  • 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: 79.8
  • XLogP3: 1.4

Experimental Properties

  • Density: 1.745±0.06 g/cm3 (20 oC 760 Torr),
  • Melting Point: 200~202℃
  • Boiling Point: 475.7°C at 760 mmHg
  • Flash Point: 241.5℃
  • Refractive Index: 1.593
  • Solubility: Very slightly soluble (0.95 g/l) (25 o C),
  • PSA: 71.44

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