Cas no 1259396-11-6 (Methyl 5-bromo-2-methylthiophene-3-carboxylate)

Methyl 5-bromo-2-methylthiophene-3-carboxylate structure
1259396-11-6 structure
Product Name:Methyl 5-bromo-2-methylthiophene-3-carboxylate
CAS No:1259396-11-6
MF:C7H7BrO2S
MW:235.098280191422
MDL:MFCD14636529
CID:1005681
PubChem ID:57839448
Update Time:2025-04-20

Methyl 5-bromo-2-methylthiophene-3-carboxylate Chemical and Physical Properties

Names and Identifiers

    • Methyl 5-bromo-2-methylthiophene-3-carboxylate
    • Methyl5-bromo-2-methylthiophene 1.000 EA 550.00 550.00-3-carboxylate
    • Methyl5-bromo-2-methylthiophene-3-carboxylate
    • AS-70758
    • methyl 5-bromo-2-methyl-thiophene-3-carboxylate
    • SCHEMBL168008
    • 5-Bromo-2-methylthiophene-3-carboxylic acid methyl ester
    • MFCD14636529
    • AKOS016008230
    • DTXSID10728102
    • KOLUIHOYXGOSFO-UHFFFAOYSA-N
    • 3-Thiophenecarboxylic acid, 5-bromo-2-methyl-, methyl ester
    • 1259396-11-6
    • CS-0094658
    • DB-334874
    • MDL： MFCD14636529
    • Inchi： 1S/C7H7BrO2S/c1-4-5(7(9)10-2)3-6(8)11-4/h3H,1-2H3
    • InChI Key： KOLUIHOYXGOSFO-UHFFFAOYSA-N
    • SMILES： BrC1=CC(C(=O)OC)=C(C)S1

Computed Properties

  • Exact Mass: 233.93501g/mol
  • Monoisotopic Mass: 233.93501g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 2
  • Complexity: 163
  • 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: 2.9
  • Topological Polar Surface Area: 54.5?2

Experimental Properties

  • Density: 1.1±0.1 g/cm3
  • Boiling Point: 239.8±13.0 °C at 760 mmHg
  • Flash Point: 98.0±12.4 °C
  • Vapor Pressure: 0.0±1.1 mmHg at 25°C

Methyl 5-bromo-2-methylthiophene-3-carboxylate Security Information

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