Cas no 6609-58-1 (2-Propoxybenzonitrile)

2-Propoxybenzonitrile structure
2-Propoxybenzonitrile structure
Product Name:2-Propoxybenzonitrile
CAS No:6609-58-1
MF:C10H11NO
MW:161.200442552567
MDL:MFCD00270128
CID:826467
PubChem ID:2760470
Update Time:2025-09-24

2-Propoxybenzonitrile Chemical and Physical Properties

Names and Identifiers

    • 2-Propoxybenzonitrile
    • AKOS000174147
    • CS-0365083
    • DB-021514
    • WLODJVVNLOYYEE-UHFFFAOYSA-N
    • 2-propoxy-benzonitrile
    • 6609-58-1
    • FS-1559
    • SCHEMBL973234
    • G64341
    • MFCD00270128
    • 2-Propoxybenzonitrile,
    • DTXSID30375177
    • MDL: MFCD00270128
    • Inchi: 1S/C10H11NO/c1-2-7-12-10-6-4-3-5-9(10)8-11/h3-6H,2,7H2,1H3
    • InChI Key: WLODJVVNLOYYEE-UHFFFAOYSA-N
    • SMILES: O(C1C=CC=CC=1C#N)CCC

Computed Properties

  • Exact Mass: 161.08400
  • Monoisotopic Mass: 161.084063974g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 3
  • Complexity: 170
  • 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: 2.9
  • Topological Polar Surface Area: 33?2

Experimental Properties

  • Density: 1,02 g/cm3
  • Boiling Point: 101°C 1mm
  • PSA: 33.02000
  • LogP: 2.34708

2-Propoxybenzonitrile Security Information

  • Hazardous Material transportation number:UN 3276
  • Hazard Category Code: 20/21/22-36/37/38
  • Safety Instruction: S26; S36/37/39
  • HazardClass:IRRITANT
  • Risk Phrases:R20/21/22; R36/37/38

2-Propoxybenzonitrile 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-Propoxybenzonitrile Pricemore >>

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