Cas no 22445-42-7 (3,5-Dimethylbenzonitrile)

3,5-Dimethylbenzonitrile structure
3,5-Dimethylbenzonitrile structure
Product Name:3,5-Dimethylbenzonitrile
CAS No:22445-42-7
MF:C9H9N
MW:131.174462080002
MDL:MFCD00060670
CID:52074
PubChem ID:89718
Update Time:2025-04-18

3,5-Dimethylbenzonitrile Chemical and Physical Properties

Names and Identifiers

    • 3,5-Dimethylbenzonitrile
    • Benzonitrile, 3,5-dimethyl-
    • 3,3-dimethylbenzonitrile
    • 3,5-Dimethyl-benzonitril
    • 3,5-dimethyl-benzonitrile
    • Benzonitrile,3,5-dimethyl
    • 1,3-Dimethyl-5-cyanobenzene
    • 3,5-Dimethyl benzonitrile
    • YFKRLZLGVDDKAL-UHFFFAOYSA-N
    • PubChem12528
    • 3.5-Dimethylbenzonitrile
    • 2-Amino-methyl-priperidine
    • 3.5-Dimethyl-benzonitrile
    • 3,5-Dimethylbenzonitrile #
    • KSC493K5T
    • 3,5-Dimethylbenzonitrilradikalkation
    • DS-1086
    • CS-Z0030
    • A4816
    • EINECS 245-001-9
    • SY016824
    • EN300-72707
    • 22445-42-7
    • FT-0638234
    • AC-26718
    • SCHEMBL501406
    • AKOS005145654
    • AM20060238
    • DTXSID50176986
    • Z838974050
    • MFCD00060670
    • NS00027187
    • 1,3-Dimethyl-5-cyanobenzene;3,5-Dimethylbenzonitrile
    • DB-014226
    • MDL： MFCD00060670
    • Inchi： 1S/C9H9N/c1-7-3-8(2)5-9(4-7)6-10/h3-5H,1-2H3
    • InChI Key： YFKRLZLGVDDKAL-UHFFFAOYSA-N
    • SMILES： N#CC1C=C(C)C=C(C)C=1

Computed Properties

  • Exact Mass: 131.07300
  • Monoisotopic Mass: 131.073
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 0
  • Complexity: 143
  • 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: 2.4
  • Topological Polar Surface Area: 23.8

Experimental Properties

  • Color/Form: Undetermined 2. density (g/ml, 25/4 ℃)
  • Density: 1.0±0.1 g/cm3
  • Melting Point: 42-43°C
  • Boiling Point: 243.1℃ at 760 mmHg
  • Flash Point: 100.8±11.2 °C
  • Refractive Index: 1.525
  • PSA: 23.79000
  • LogP: 2.17508
  • Vapor Pressure: No data available

3,5-Dimethylbenzonitrile Security Information

3,5-Dimethylbenzonitrile 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%

3,5-Dimethylbenzonitrile Pricemore >>

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Chemenu
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ChemScence
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TRC
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TRC
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3,5-Dimethylbenzonitrile Production Method

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