Cas no 62224-25-3 (2-Thiophenecarboxylic acid, 4,5-dibromo-, ethyl ester)

2-Thiophenecarboxylic acid, 4,5-dibromo-, ethyl ester structure
62224-25-3 structure
Product Name:2-Thiophenecarboxylic acid, 4,5-dibromo-, ethyl ester
CAS No:62224-25-3
MF:C7H6Br2O2S
MW:313.994339466095
CID:453694
PubChem ID:15073982
Update Time:2025-04-19

2-Thiophenecarboxylic acid, 4,5-dibromo-, ethyl ester Chemical and Physical Properties

Names and Identifiers

    • 2-Thiophenecarboxylic acid, 4,5-dibromo-, ethyl ester
    • ethyl 4,5-dibromothiophene-2-carboxylate
    • 4,5-Dibromo-2-thiophenecarboxylic acid ethyl ester
    • AKOS016347275
    • Ethyl 4,5-dibromo-2-thiophenecarboxylate
    • NZQKKQQTXFNEMQ-UHFFFAOYSA-N
    • SCHEMBL422589
    • ethyl4,5-dibromothiophene-2-carboxylate
    • AT36293
    • FT-0710389
    • 62224-25-3
    • DTXSID30567833
    • Inchi: 1S/C7H6Br2O2S/c1-2-11-7(10)5-3-4(8)6(9)12-5/h3H,2H2,1H3
    • InChI Key: NZQKKQQTXFNEMQ-UHFFFAOYSA-N
    • SMILES: BrC1=C(SC(C(=O)OCC)=C1)Br

Computed Properties

  • Exact Mass: 311.84548
  • Monoisotopic Mass: 311.84553g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 3
  • Complexity: 177
  • 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: 3.9
  • Topological Polar Surface Area: 54.5?2

Experimental Properties

  • Density: 1.895
  • Melting Point: 50-51 oC
  • Boiling Point: 319 oC
  • Flash Point: 146 oC
  • PSA: 26.3
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