Cas no 25117-75-3 (3-Ethoxybenzonitrile)

3-Ethoxybenzonitrile structure
3-Ethoxybenzonitrile structure
Product Name:3-Ethoxybenzonitrile
CAS No:25117-75-3
MF:C9H9NO
MW:147.173862218857
MDL:MFCD00001805
CID:88560
PubChem ID:91283
Update Time:2025-04-18

3-Ethoxybenzonitrile Chemical and Physical Properties

Names and Identifiers

    • 3-Ethoxybenzonitrile
    • 3-Aethoxy-benzoesaeure-nitril
    • 3-Aethoxy-benzonitril
    • 3-ethoxybenzenecarbonitrile
    • 3-ethoxy-benzonitrile
    • Benzonitrile,3-ethoxy
    • Benzonitrile,m-ethoxy
    • m-Cyanophenetol
    • m-Ethoxybenzonitril
    • J-015818
    • CS-0159909
    • m-Ethoxy benzonitrile
    • SCHEMBL1821556
    • Benzonitrile, 3-ethoxy-
    • MFCD00001805
    • EINECS 246-632-2
    • FS-4602
    • AKOS000198122
    • EN300-09450
    • 3-Ethoxybenzoic acid nitrile
    • 25117-75-3
    • Z54464104
    • FT-0682168
    • PFNAUBYHTWDKBO-UHFFFAOYSA-N
    • SY061633
    • D95712
    • NS00027812
    • InChI=1/C9H9NO/c1-2-11-9-5-3-4-8(6-9)7-10/h3-6H,2H2,1H
    • DTXSID60179807
    • Benzonitrile, m-ethoxy-
    • AMY28499
    • DTXCID80102298
    • MDL: MFCD00001805
    • Inchi: 1S/C9H9NO/c1-2-11-9-5-3-4-8(6-9)7-10/h3-6H,2H2,1H3
    • InChI Key: PFNAUBYHTWDKBO-UHFFFAOYSA-N
    • SMILES: O(CC)C1C=CC=C(C#N)C=1

Computed Properties

  • Exact Mass: 147.06800
  • Monoisotopic Mass: 147.068
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 2
  • Complexity: 158
  • 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: nothing
  • Topological Polar Surface Area: 33A^2

Experimental Properties

  • Color/Form: Not determined
  • Density: 1.047?g/mL?at 25?°C(lit.)
  • Melting Point: No data available
  • Boiling Point: 241-244?°C(lit.)
  • Flash Point: Degrees Fahrenheit:235.4°F
    Degrees Celsius:113°C
  • Refractive Index: n20/D 1.529(lit.)
  • PSA: 33.02000
  • LogP: 1.95698
  • Solubility: Not determined

3-Ethoxybenzonitrile Security Information

  • Symbol: GHS07
  • Signal Word:Warning
  • Hazard Statement: H302 + H312 + H332
  • Warning Statement: P280
  • Hazardous Material transportation number:3276
  • WGK Germany:3
  • Hazard Category Code: 20/21/22
  • Safety Instruction: S36
  • Hazardous Material Identification: Xn
  • HazardClass:6.1
  • PackingGroup:III
  • Packing Group:III
  • Hazard Level:6.1
  • Safety Term:6.1
  • Packing Group:III
  • Risk Phrases:R20/21/22
  • Storage Condition:Ambient temperatures.

3-Ethoxybenzonitrile 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-Ethoxybenzonitrile Pricemore >>

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