Cas no 220227-80-5 (2,4,6-Trifluorophenylacetonitrile)

2,4,6-Trifluorophenylacetonitrile structure
220227-80-5 structure
Product Name:2,4,6-Trifluorophenylacetonitrile
CAS No:220227-80-5
MF:C8H4F3N
MW:171.119272232056
MDL:MFCD00061221
CID:67015
PubChem ID:2777958
Update Time:2025-04-18

2,4,6-Trifluorophenylacetonitrile Chemical and Physical Properties

Names and Identifiers

    • 2,4,6-Trifluorophenylacetonitrile
    • 2-(2,4,6-trifluorophenyl)acetonitrile
    • 2,4,6-TRIFLUOROBENZYL CYANIDE
    • 2-(2,4,6-trifluorophenyl)ethanenitrile
    • 2,3-DIHYDROXY-4-BENZYOXYL ACETOPHENONE
    • AKOS006228973
    • AM83128
    • CS-0199371
    • FT-0676279
    • DTXSID80380731
    • SCHEMBL1443680
    • A815838
    • PS-10125
    • CK2064
    • EN300-1838729
    • 220227-80-5
    • MFCD00061221
    • 2,4,6-Trifluorobenzyl cyanide;
    • 2,4,6-trifluorobenzylcyanide
    • MDL: MFCD00061221
    • Inchi: 1S/C8H4F3N/c9-5-3-7(10)6(1-2-12)8(11)4-5/h3-4H,1H2
    • InChI Key: IHCQMVSMIRAMBR-UHFFFAOYSA-N
    • SMILES: FC1C=C(C=C(C=1CC#N)F)F

Computed Properties

  • Exact Mass: 171.03000
  • Monoisotopic Mass: 171.03
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 1
  • 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: 1.9
  • Topological Polar Surface Area: 23.8A^2

Experimental Properties

  • Color/Form: liquid
  • Density: 1.334
  • Boiling Point: 202°Cat760mmHg
  • Flash Point: 76°C
  • Refractive Index: 1.4635
  • PSA: 23.79000
  • LogP: 2.16998
  • Solubility: Not determined

2,4,6-Trifluorophenylacetonitrile Security Information

  • Hazard Statement: Toxic
  • Hazardous Material transportation number:3276
  • Hazard Category Code: 20/21/22-36/37/38
  • Safety Instruction: S26-S36/37/39
  • Hazardous Material Identification: T
  • HazardClass:6.1
  • PackingGroup:III
  • Risk Phrases:R20/21/22
  • Packing Group:III
  • Safety Term:6.1
  • Packing Group:III
  • Hazard Level:6.1

2,4,6-Trifluorophenylacetonitrile 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%

2,4,6-Trifluorophenylacetonitrile Pricemore >>

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220227-80-5 97%
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£24.00 2022-03-01
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SHANG HAI MAI KE LIN SHENG HUA Technology Co., Ltd.
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Apollo Scientific
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£10.00 2023-09-02
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£12.00 2023-09-02
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TRC
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2,4,6-Trifluorophenylacetonitrile Production Method

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