Cas no 404-90-0 (3-Fluoro-4-methoxyphenylacetonitrile)

3-Fluoro-4-methoxyphenylacetonitrile structure
404-90-0 structure
Product Name:3-Fluoro-4-methoxyphenylacetonitrile
CAS No:404-90-0
MF:C9H8FNO
MW:165.164325714111
MDL:MFCD00040889
CID:37299
PubChem ID:136251
Update Time:2025-04-18

3-Fluoro-4-methoxyphenylacetonitrile Chemical and Physical Properties

Names and Identifiers

    • 3-Fluoro-4-methoxylphenylacetonitrile
    • 3-Fluoro-4-methoxyphenylacetonitrile
    • 2-(3-fluoro-4-methoxyphenyl)acetonitrile
    • 3-FLUORO-4-METHOXYBENZYL CYANIDE
    • 3-Fluoro-4-methoxybenzylcyanide
    • (3-fluoro-4-methoxyphenyl)acetonitrile
    • Benzeneacetonitrile, 3-fluoro-4-methoxy-
    • OFCMGCZEFVKTAN-UHFFFAOYSA-N
    • 3-Fluoro-4-methoxylacetonitrile
    • KSC494S2H
    • SBB079121
    • WT1763
    • 3-Fluoro-4-methoxy
    • AKOS001107572
    • SY018256
    • MFCD00040889
    • FT-0688107
    • A24142
    • EN300-14147
    • Z96091881
    • FS-1544
    • 2-(3-fluoro-4-methoxyphenyl)acetonitrile;3-Fluoro-4-methoxyphenylacetonitrile
    • 404-90-0
    • CS-W021918
    • AM20061071
    • SCHEMBL988906
    • DTXSID80193404
    • DTXCID50115895
    • DA-18008
    • MDL: MFCD00040889
    • Inchi: 1S/C9H8FNO/c1-12-9-3-2-7(4-5-11)6-8(9)10/h2-3,6H,4H2,1H3
    • InChI Key: OFCMGCZEFVKTAN-UHFFFAOYSA-N
    • SMILES: FC1=C(C=CC(CC#N)=C1)OC

Computed Properties

  • Exact Mass: 165.05900
  • Monoisotopic Mass: 165.059
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 2
  • Complexity: 186
  • 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: 1.3
  • Topological Polar Surface Area: 33

Experimental Properties

  • Color/Form: Not available
  • Density: 1.148
  • Melting Point: 46-48°C
  • Boiling Point: 270.6℃ at 760 mmHg
  • Flash Point: 117.5℃
  • Refractive Index: 1.501
  • PSA: 33.02000
  • LogP: 1.90038
  • Solubility: Not available

3-Fluoro-4-methoxyphenylacetonitrile Security Information

  • Hazard Statement: Irritant
  • Hazardous Material transportation number:3439
  • Hazard Category Code: 20/21/22-36/37/38
  • Safety Instruction: S26-S36/37/39
  • Hazardous Material Identification: Xi
  • HazardClass:6.1
  • PackingGroup:III
  • Safety Term:6.1
  • Packing Group:III
  • Risk Phrases:R20/21/22

3-Fluoro-4-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%

3-Fluoro-4-methoxyphenylacetonitrile Pricemore >>

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