Cas no 6609-59-2 (Benzonitrile,2-butoxy-)

Benzonitrile, 2-butoxy- is a versatile organic compound utilized in various chemical applications. It serves as a precursor for the synthesis of pharmaceuticals, agrochemicals, and fine chemicals. This compound offers high purity, excellent solubility, and stability, making it ideal for research and industrial applications. Its unique structural features contribute to its reactivity and functional versatility, rendering it a valuable intermediate in chemical synthesis processes.
Benzonitrile,2-butoxy- structure
Benzonitrile,2-butoxy- structure
Product Name:Benzonitrile,2-butoxy-
CAS No:6609-59-2
MF:C11H13NO
MW:175.227022886276
MDL:MFCD02257371
CID:963264
PubChem ID:19008066
Update Time:2025-10-15

Benzonitrile,2-butoxy- Chemical and Physical Properties

Names and Identifiers

    • Benzonitrile,2-butoxy-
    • 2-Butoxy-anilin
    • 2-butoxy-aniline
    • 2-Butoxybenzenamine
    • 2-butoxybenzonitrile
    • 2-Butoxy-phenylamine
    • 2-n-butoxyaniline
    • Aniline,o-butoxy
    • o-butoxyaniline
    • o-Butoxybenzonitril
    • 6609-59-2
    • SCHEMBL1444254
    • DB-050144
    • 2-n-Butoxybenzonitrile
    • AKOS000173904
    • MDL: MFCD02257371
    • Inchi: 1S/C11H13NO/c1-2-3-8-13-11-7-5-4-6-10(11)9-12/h4-7H,2-3,8H2,1H3
    • InChI Key: IMAGJJUELPRODU-UHFFFAOYSA-N
    • SMILES: O(C1C=CC=CC=1C#N)CCCC

Computed Properties

  • Exact Mass: 175.10000
  • Monoisotopic Mass: 175.099714038g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 4
  • Complexity: 182
  • 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: 3.2
  • Topological Polar Surface Area: 33?2

Experimental Properties

  • Density: 1.0±0.1 g/cm3
  • Boiling Point: 294.1±13.0 °C at 760 mmHg
  • Flash Point: 123.8±13.7 °C
  • PSA: 33.02000
  • LogP: 2.73718
  • Vapor Pressure: 0.0±0.6 mmHg at 25°C

Benzonitrile,2-butoxy- Security Information

Benzonitrile,2-butoxy- 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%

Benzonitrile,2-butoxy- Pricemore >>

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