Cas no 925672-89-5 (4-Bromo-2-cyanobenzeneacetonitrile)

4-Bromo-2-cyanobenzeneacetonitrile structure
925672-89-5 structure
Product Name:4-Bromo-2-cyanobenzeneacetonitrile
CAS No:925672-89-5
MF:C9H5BrN2
MW:221.053400754929
MDL:MFCD09999218
CID:797003
PubChem ID:52987741
Update Time:2025-04-19

4-Bromo-2-cyanobenzeneacetonitrile Chemical and Physical Properties

Names and Identifiers

    • 4-Bromo-2-cyanobenzeneacetonitrile
    • 5-bromo-2-(cyanomethyl)benzonitrile
    • Benzeneacetonitrile, 4-bromo-2-cyano-
    • FT-0702266
    • SY067214
    • J-514635
    • MFCD09999218
    • 925672-89-5
    • FS-2790
    • DTXSID30680950
    • CS-0186953
    • AKOS015835560
    • DS-0379
    • SCHEMBL17157309
    • DA-39946
    • MDL: MFCD09999218
    • Inchi: 1S/C9H5BrN2/c10-9-2-1-7(3-4-11)8(5-9)6-12/h1-2,5H,3H2
    • InChI Key: JFJQZQISHKWUQJ-UHFFFAOYSA-N
    • SMILES: BrC1C=CC(CC#N)=C(C#N)C=1

Computed Properties

  • Exact Mass: 219.96400
  • Monoisotopic Mass: 219.964
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 1
  • Complexity: 244
  • 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: 47.6A^2
  • XLogP3: 2

Experimental Properties

  • Color/Form: No data avaiable
  • Density: 1.6±0.1 g/cm3
  • Melting Point: No data available
  • Boiling Point: 334.6±27.0 °C at 760 mmHg
  • Flash Point: 156.1±23.7 °C
  • Refractive Index: 1.607
  • PSA: 47.58000
  • LogP: 2.38686
  • Vapor Pressure: 0.0±0.7 mmHg at 25°C

4-Bromo-2-cyanobenzeneacetonitrile Customs Data

  • HS CODE:2926909090
  • Customs Data:

    China Customs Code:

    2926909090

    Overview:

    2926909090 Other nitrile based compounds. VAT:17.0% Tax refund rate:9.0% Regulatory conditions:nothing MFN tariff:6.5% general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to

    Summary:

    HS:2926909090 other nitrile-function compounds VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%

4-Bromo-2-cyanobenzeneacetonitrile Pricemore >>

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