Cas no 114152-21-5 (2,3,6-Trifluorophenylacetonitrile)

2,3,6-Trifluorophenylacetonitrile structure
114152-21-5 structure
Product Name:2,3,6-Trifluorophenylacetonitrile
CAS No:114152-21-5
MF:C8H4F3N
MW:171.119272232056
MDL:MFCD00061219
CID:136279
PubChem ID:2777956
Update Time:2025-04-19

2,3,6-Trifluorophenylacetonitrile Chemical and Physical Properties

Names and Identifiers

    • 2-(2,3,6-Trifluorophenyl)acetonitrile
    • 2,3,6-TRIFLUOROPHENYLACETONITRILE
    • Benzeneacetonitrile,2,3,6-trifluoro-
    • 2,3,6-TRIFLUOROBENZYL CYANIDE
    • 2,3,6-trifluorobenzeneacetonitrile
    • 2,3,6-Trifluorophenylacetonticonitrile
    • 2,3,6-Trifluorophenylacetonitrile97%
    • 2,3,6-Trifluorophenylacetonitrile 97%
    • PQIFHBOOYBTJLD-UHFFFAOYSA-
    • A803142
    • FT-0609487
    • AS-30438
    • 114152-21-5
    • EN300-1840428
    • MFCD00061219
    • AM62533
    • (2,3,6-Trifluorophenyl)acetonitrile, AldrichCPR
    • InChI=1/C8H4F3N/c9-6-1-2-7(10)8(11)5(6)3-4-12/h1-2H,3H2
    • SCHEMBL7104591
    • CS-0160021
    • DTXSID10380729
    • Benzeneacetonitrile, 2,3,6-trifluoro-
    • AKOS006230404
    • 2,3,6-TRIFLUORO-BENZENEACETONITRILE
    • PQIFHBOOYBTJLD-UHFFFAOYSA-N
    • AC-28707
    • 2,3,6-Trifluorophenylacetonitrile
    • MDL: MFCD00061219
    • Inchi: 1S/C8H4F3N/c9-6-1-2-7(10)8(11)5(6)3-4-12/h1-2H,3H2
    • InChI Key: PQIFHBOOYBTJLD-UHFFFAOYSA-N
    • SMILES: FC1C(=CC=C(C=1CC#N)F)F

Computed Properties

  • Exact Mass: 171.03000
  • Monoisotopic Mass: 171.02958362g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 1
  • Complexity: 198
  • 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
  • Topological Polar Surface Area: 23.8?2
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: 1.9

Experimental Properties

  • Density: 1.334±0.06 g/cm3 (20 oC 760 Torr),
  • Boiling Point: 80-85 oC (5 Torr)
  • Flash Point: 80.3±25.9 oC,
  • Solubility: Very slightly soluble (0.15 g/l) (25 o C),
  • PSA: 23.79000
  • LogP: 2.16998

2,3,6-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:TOXIC
  • Risk Phrases:R20/21/22

2,3,6-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%

2,3,6-Trifluorophenylacetonitrile Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
SHANG HAI MAI KE LIN SHENG HUA Technology Co., Ltd.
T858635-25g
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114152-21-5 ≥98%
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¥1,191.00 2022-09-28
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Fluorochem
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2,3,6-Trifluorophenylacetonitrile Suppliers

Amadis Chemical Company Limited
Gold Member
Audited Supplier Audited Supplier
(CAS:114152-21-5)2,3,6-Trifluorophenylacetonitrile
Order Number:A803142
Stock Status:in Stock
Quantity:25g
Purity:99%
Pricing Information Last Updated:Monday, 2 September 2024 16:05
Price ($):177.0

2,3,6-Trifluorophenylacetonitrile Related Literature

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Amadis Chemical Company Limited
(CAS:114152-21-5)2,3,6-Trifluorophenylacetonitrile
A803142
Purity:99%
Quantity:25g
Price ($):177.0
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