Cas no 772-59-8 (3-Bromo-4-methoxyphenylacetonitrile)

3-Bromo-4-methoxyphenylacetonitrile structure
772-59-8 structure
Product Name:3-Bromo-4-methoxyphenylacetonitrile
CAS No:772-59-8
MF:C9H8BrNO
MW:226.06992149353
MDL:MFCD00016391
CID:83062
PubChem ID:87564373
Update Time:2025-04-18

3-Bromo-4-methoxyphenylacetonitrile Chemical and Physical Properties

Names and Identifiers

    • 3-Bromo-4-methoxyphenylacetonitrile
    • 3-Bromo-4-methoxybenzyl cyanide
    • 2-(3-bromo-4-methoxyphenyl)acetonitrile
    • OBJKHHRZMIIEOK-UHFFFAOYSA-N
    • Benzeneacetonitrile, 3-bromo-4-methoxy-
    • 2-(3-bromo-4-methoxyphenyl)ethanenitrile
    • 9540AE
    • SBB058927
    • OR3047
    • VZ26448
    • FCH5086020
    • (3-Bromo-4-methoxy-phenyl)-acetonitrile
    • B1455
    • DTXSID90335030
    • 772-59-8
    • (3-Bromo-4-methoxyphenyl)acetonitrile, AldrichCPR
    • Benzeneacetonitrile,3-bromo-4-methoxy-
    • CS-0063831
    • D73298
    • A839019
    • MFCD00016391
    • AKOS009156590
    • SY049934
    • 2-(3-bromanyl-4-methoxy-phenyl)ethanenitrile
    • FT-0604697
    • SCHEMBL150589
    • FS-1521
    • DTXCID90286119
    • MDL: MFCD00016391
    • Inchi: 1S/C9H8BrNO/c1-12-9-3-2-7(4-5-11)6-8(9)10/h2-3,6H,4H2,1H3
    • InChI Key: OBJKHHRZMIIEOK-UHFFFAOYSA-N
    • SMILES: BrC1=C(C=CC(CC#N)=C1)OC
    • BRN: 2094194

Computed Properties

  • Exact Mass: 224.97900
  • Monoisotopic Mass: 224.979
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 2
  • Complexity: 186
  • 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: 1.9
  • Topological Polar Surface Area: 33
  • Surface Charge: 0
  • Tautomer Count: nothing

Experimental Properties

  • Color/Form: Not determined
  • Density: 1.5±0.1 g/cm3
  • Melting Point: 54.0 to 57.0 deg-C
  • Boiling Point: 178°C/6mmHg(lit.)
  • Flash Point: 175-178°C/6mm
  • Refractive Index: 1.555
  • PSA: 33.02000
  • LogP: 2.52378
  • Solubility: Not determined
  • Vapor Pressure: 0.0±0.7 mmHg at 25°C

3-Bromo-4-methoxyphenylacetonitrile Security Information

3-Bromo-4-methoxyphenylacetonitrile 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%

3-Bromo-4-methoxyphenylacetonitrile Pricemore >>

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