Cas no 112598-77-3 (3-(2-Furyl)benzonitrile)

3-(2-Furyl)benzonitrile structure
3-(2-Furyl)benzonitrile structure
Product Name:3-(2-Furyl)benzonitrile
CAS No:112598-77-3
MF:C11H7NO
MW:169.179382562637
MDL:MFCD04039075
CID:137213
PubChem ID:4163731
Update Time:2025-09-25

3-(2-Furyl)benzonitrile Chemical and Physical Properties

Names and Identifiers

    • Benzonitrile,3-(2-furanyl)-
    • 3-(2-Furyl)benzonitrile
    • 3-(furan-2-yl)benzonitrile
    • 3-Furan-2-ylbenzonitrile
    • AKOS BAR-0089
    • 2-(3-Cyanophenyl)furan
    • 3-(Fur-2-yl)benzonitrile
    • 3-FURAN-2-YL-BENZONITRILE
    • FT-0642749
    • AKOS004113451
    • TS-02295
    • 3-(2-furanyl)benzonitrile
    • DTXSID20400129
    • BB 0222431
    • CS-0318794
    • A802611
    • 112598-77-3
    • MFCD04039075
    • SCHEMBL5227106
    • SB61118
    • DB-041102
    • MDL: MFCD04039075
    • Inchi: 1S/C11H7NO/c12-8-9-3-1-4-10(7-9)11-5-2-6-13-11/h1-7H
    • InChI Key: BUZQKXZXWYCNJK-UHFFFAOYSA-N
    • SMILES: O1C=CC=C1C1C=CC=C(C#N)C=1

Computed Properties

  • Exact Mass: 169.05300
  • Monoisotopic Mass: 169.052763847g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 1
  • Complexity: 217
  • 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: 2.4
  • Topological Polar Surface Area: 36.9?2

Experimental Properties

  • Density: 1.2±0.1 g/cm3
  • Boiling Point: 295.2±23.0 °C at 760 mmHg
  • Flash Point: 132.3±22.6 °C
  • PSA: 36.93000
  • LogP: 2.81828
  • Vapor Pressure: 0.0±0.6 mmHg at 25°C

3-(2-Furyl)benzonitrile Security Information

3-(2-Furyl)benzonitrile Customs Data

  • HS CODE:2932190090
  • Customs Data:

    China Customs Code:

    2932190090

    Overview:

    2932190090 Other structurally non fused furan ring compounds. VAT:17.0% Tax refund rate:9.0% Regulatory conditions:nothing MFN tariff:6.5% general tariff:20.0%

    Declaration elements:

    Product Name, component content, use to

    Summary:

    2932190090 other compounds containing an unfused furan ring (whether or not hydrogenated) in the structure VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:20.0%

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