Cas no 103796-52-7 (4-Ethoxy-3-methoxyphenylacetonitrile)

4-Ethoxy-3-methoxyphenylacetonitrile structure
103796-52-7 structure
Product Name:4-Ethoxy-3-methoxyphenylacetonitrile
CAS No:103796-52-7
MF:C11H13NO2
MW:191.226423025131
MDL:MFCD00016402
CID:125850
PubChem ID:3863951
Update Time:2025-09-26

4-Ethoxy-3-methoxyphenylacetonitrile Chemical and Physical Properties

Names and Identifiers

    • Benzeneacetonitrile,4-ethoxy-3-methoxy-
    • 4-Ethoxy-3-methoxyphenylacetonitrile
    • 2-(4-ethoxy-3-methoxyphenyl)acetonitrile
    • DTXSID50397553
    • 4-Ethoxy-3-methoxyphenylacetonitrile,
    • MFCD00016402
    • EN300-1840295
    • FT-0676189
    • 103796-52-7
    • AKOS006344169
    • GRTNZZWHXYRVDL-UHFFFAOYSA-N
    • (4-ethoxy-3-methoxyphenyl)acetonitrile
    • CS-0299271
    • SCHEMBL7315399
    • MDL: MFCD00016402
    • Inchi: 1S/C11H13NO2/c1-3-14-10-5-4-9(6-7-12)8-11(10)13-2/h4-5,8H,3,6H2,1-2H3
    • InChI Key: GRTNZZWHXYRVDL-UHFFFAOYSA-N
    • SMILES: O(CC)C1C=CC(CC#N)=CC=1OC

Computed Properties

  • Exact Mass: 191.09500
  • Monoisotopic Mass: 191.095
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 4
  • Complexity: 209
  • 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: 1.5
  • Topological Polar Surface Area: 42.2A^2

Experimental Properties

  • Density: 1.061
  • Melting Point: 54-56°C
  • Boiling Point: 310.8°Cat760mmHg
  • Flash Point: 117.9°C
  • Refractive Index: 1.508
  • PSA: 42.25000
  • LogP: 2.15998

4-Ethoxy-3-methoxyphenylacetonitrile Security Information

  • Hazardous Material transportation number:UN 3439
  • Hazard Category Code: 20/21/22-36/37/38
  • Safety Instruction: S26
  • Hazardous Material Identification: Xi
  • HazardClass:IRRITANT, IRRITANT-HARMFUL
  • Safety Term:S26-36/37/39
  • Risk Phrases:R20/21/22

4-Ethoxy-3-methoxyphenylacetonitrile 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%

4-Ethoxy-3-methoxyphenylacetonitrile Pricemore >>

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abcr
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