Cas no 6587-24-2 (Methyl 2-cyanobenzoate)

Methyl 2-cyanobenzoate structure
Methyl 2-cyanobenzoate structure
Product Name:Methyl 2-cyanobenzoate
CAS No:6587-24-2
MF:C9H7NO2
MW:161.157382249832
MDL:MFCD00016376
CID:46867
PubChem ID:582554
Update Time:2025-04-18

Methyl 2-cyanobenzoate Chemical and Physical Properties

Names and Identifiers

    • Methyl 2-cyanobenzoate
    • 2-Cyanobenzoic acid methyl ester
    • Benzoic acid, 2-cyano-, methyl ester
    • METHYL-2-CYANO BENZOATE
    • methyl-2-cyanobenzoate
    • RAMPDACRJWTXEV-UHFFFAOYSA-N
    • Benzoic acid, o-cyano-, methyl ester
    • Methyl o-cyanobenzoate
    • o-Cyanbenzoesauremethylester
    • METHYL2-CYANOBENZOATE
    • 2-(Methoxycarbonyl)benzonitrile
    • 2-cyano-benzoic acid methyl ester
    • SBB053726
    • Benzoic acid, 2-cyano-,methyl ester
    • TRA004
    • FT-0628452
    • A835258
    • SY005784
    • CHEMBL4543803
    • DTXSID80342511
    • FS-1551
    • EN300-105663
    • Z1201617254
    • SCHEMBL181067
    • CHEBI:194859
    • CS-W005307
    • MFCD00016376
    • AKOS006229429
    • 6587-24-2
    • J-522007
    • DTXCID00293591
    • MDL: MFCD00016376
    • Inchi: 1S/C9H7NO2/c1-12-9(11)8-5-3-2-4-7(8)6-10/h2-5H,1H3
    • InChI Key: RAMPDACRJWTXEV-UHFFFAOYSA-N
    • SMILES: O(C)C(C1C=CC=CC=1C#N)=O

Computed Properties

  • Exact Mass: 161.04800
  • Monoisotopic Mass: 161.047678
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 2
  • Complexity: 216
  • 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: 1.5
  • Topological Polar Surface Area: 50.1

Experimental Properties

  • Density: 1.18
  • Melting Point: 49 °C
  • Boiling Point: 108℃/1mmHg(lit.)
  • Flash Point: 136.2℃
  • Refractive Index: 1.535
  • PSA: 50.09000
  • LogP: 1.34488

Methyl 2-cyanobenzoate Security Information

  • Hazardous Material transportation number:UN 3439
  • Hazard Category Code: 20/21/22
  • Safety Instruction: S36/37
  • Hazardous Material Identification: Xn
  • HazardClass:IRRITANT, IRRITANT-HARMFUL
  • Safety Term:S36/37
  • Risk Phrases:R20/21/22

Methyl 2-cyanobenzoate 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%

Methyl 2-cyanobenzoate Pricemore >>

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Methyl 2-cyanobenzoate Production Method

Methyl 2-cyanobenzoate Related Literature

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