Cas no 51655-39-1 (2-Bromo-4,5-dimethoxyphenylacetonitrile)

2-Bromo-4,5-dimethoxyphenylacetonitrile structure
51655-39-1 structure
Product Name:2-Bromo-4,5-dimethoxyphenylacetonitrile
CAS No:51655-39-1
MF:C10H10BrNO2
MW:256.095901966095
MDL:MFCD00016385
CID:56061
PubChem ID:142869
Update Time:2025-04-18

2-Bromo-4,5-dimethoxyphenylacetonitrile Chemical and Physical Properties

Names and Identifiers

    • 2-(2-Bromo-4,5-dimethoxyphenyl)acetonitrile
    • 2-Bromo-4,5-dimethoxybenzyl cyanide
    • 2-Bromo-4,5-dimethoxyphenylacetonitrile
    • Acetonitrile,(2-bromo-4,5-dimethoxyphenyl)- (6CI,7CI)
    • (2-Bromo-4,5-dimethoxyphenyl)acetonitrile
    • Benzeneacetonitrile,2-bromo-4,5-dimethoxy-
    • 2-(2-bromo-4,5-dimethoxyphenyl)ethanenitrile
    • Benzeneacetonitrile, 2-bromo-4,5-dimethoxy-
    • OYPMCZMEPRFUFJ-UHFFFAOYSA-N
    • OR4519
    • 7218AB
    • SBB017831
    • FCH1318154
    • VZ23938
    • 6-bromo-3,4-dimethoxyp
    • 51655-39-1
    • EN300-13381
    • DS-14884
    • Z90124530
    • MFCD00016385
    • SCHEMBL955354
    • AKOS002535977
    • CS-0130084
    • DTXSID70199591
    • FT-0640012
    • SR-01000068795
    • SR-01000068795-1
    • SY062365
    • DTXCID30122082
    • DB-020617
    • MDL: MFCD00016385
    • Inchi: 1S/C10H10BrNO2/c1-13-9-5-7(3-4-12)8(11)6-10(9)14-2/h5-6H,3H2,1-2H3
    • InChI Key: OYPMCZMEPRFUFJ-UHFFFAOYSA-N
    • SMILES: BrC1=CC(=C(C=C1CC#N)OC)OC

Computed Properties

  • Exact Mass: 254.98900
  • Monoisotopic Mass: 254.989
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 3
  • Complexity: 225
  • 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
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: 2.2
  • Topological Polar Surface Area: 42.2

Experimental Properties

  • Density: 1.424
  • Melting Point: 87-89°C
  • Boiling Point: 343.4°Cat760mmHg
  • Flash Point: 161.5°C
  • Refractive Index: 1.543
  • PSA: 42.25000
  • LogP: 2.53238

2-Bromo-4,5-dimethoxyphenylacetonitrile Security Information

  • Hazardous Material Identification: Xi
  • HazardClass:IRRITANT, IRRITANT-HARMFUL

2-Bromo-4,5-dimethoxyphenylacetonitrile 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%

2-Bromo-4,5-dimethoxyphenylacetonitrile Pricemore >>

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