Cas no 496879-84-6 (5-(2-Bromo-acetyl)-thiophene-2-carbonitrile)

5-(2-Bromo-acetyl)-thiophene-2-carbonitrile structure
496879-84-6 structure
Product Name:5-(2-Bromo-acetyl)-thiophene-2-carbonitrile
CAS No:496879-84-6
MF:C7H4BrNOS
MW:230.08175945282
MDL:MFCD09965520
CID:932655
PubChem ID:11218461
Update Time:2025-11-06

5-(2-Bromo-acetyl)-thiophene-2-carbonitrile Chemical and Physical Properties

Names and Identifiers

    • 5-(2-Bromoacetyl)thiophene-2-carbonitrile
    • 5-(2-BROMO-ACETYL)-THIOPHENE-2-CARBONITRILE
    • 5-(bromoacetyl)thiophene-2-carbonitrile
    • 2-(Bromoacetyl)-5-cyanothiophene
    • AGN-PC-004LSN
    • CTK4J1542
    • SBB097538
    • AKOS015994937
    • DB-071035
    • CS-0205835
    • 2-Cyano-5-(bromoacetyl)thiophene
    • 496879-84-6
    • SCHEMBL6284311
    • BS-24940
    • 5-(bromoacetyl)-thiophene-2-carbonitrile
    • J-516090
    • F83006
    • LUKVPYYHLIYJSW-UHFFFAOYSA-N
    • DTXSID90459104
    • WUA87984
    • MFCD09965520
    • 5-(2-Bromo-acetyl)-thiophene-2-carbonitrile
    • MDL: MFCD09965520
    • Inchi: InChI=1S/C7H4BrNOS/c8-3-6(10)7-2-1-5(4-9)11-7/h1-2H,3H2
    • InChI Key: LUKVPYYHLIYJSW-UHFFFAOYSA-N
    • SMILES: C1=C(C#N)SC(=C1)C(=O)CBr

Computed Properties

  • Exact Mass: 228.92000
  • Monoisotopic Mass: 228.91970g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 2
  • Complexity: 210
  • 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: 2.5
  • Topological Polar Surface Area: 69.1?2

Experimental Properties

  • Density: 1.7±0.1 g/cm3
  • Boiling Point: 350.7±32.0 °C at 760 mmHg
  • Flash Point: 165.9±25.1 °C
  • PSA: 69.10000
  • LogP: 2.19738
  • Vapor Pressure: 0.0±0.8 mmHg at 25°C

5-(2-Bromo-acetyl)-thiophene-2-carbonitrile Security Information

5-(2-Bromo-acetyl)-thiophene-2-carbonitrile Customs Data

  • HS CODE:2934999090
  • Customs Data:

    China Customs Code:

    2934999090

    Overview:

    2934999090. Other heterocyclic compounds. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%

    Declaration elements:

    Product Name, component content, use to

    Summary:

    2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

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