Cas no 175204-06-5 (2-Fluoro-6-phenoxybenzonitrile)

2-Fluoro-6-phenoxybenzonitrile is a fluorinated aromatic nitrile compound with a phenoxy substituent, offering unique reactivity and structural properties for synthetic applications. Its electron-withdrawing fluorine and nitrile groups enhance its utility as an intermediate in pharmaceutical and agrochemical synthesis, enabling selective functionalization. The phenoxy moiety provides additional versatility for cross-coupling reactions or further derivatization. This compound's stability and well-defined molecular structure make it suitable for precise modifications in heterocyclic chemistry. Its balanced lipophilicity and electronic effects are advantageous in designing bioactive molecules, particularly in medicinal chemistry research. The compound is typically handled under standard laboratory conditions, with purity and consistency being critical for reproducible results.
2-Fluoro-6-phenoxybenzonitrile structure
175204-06-5 structure
Product Name:2-Fluoro-6-phenoxybenzonitrile
CAS No:175204-06-5
MF:C13H8FNO
MW:213.207126617432
MDL:MFCD00068201
CID:92120
PubChem ID:2737453
Update Time:2025-05-28

2-Fluoro-6-phenoxybenzonitrile Chemical and Physical Properties

Names and Identifiers

    • 2-Fluoro-6-phenoxybenzonitrile
    • 2-Fluoro-6-(phenoxy)benzonitrile
    • 2-Cyano-3-fluorodiphenyl ether
    • 2-Fluoro-6-phenyloxybenzonitrile
    • 6-fluoro-2-phenoxybenzenecarbonitrile
    • 2-Fluoro-6-phenoxybenzonitrile95%
    • 2-Fluoro-6-phenoxybenzonitrile 95%
    • 2-Fluoro-6-phenoxybenzonitrile, tech., 95%
    • 175204-06-5
    • SCHEMBL2127539
    • AKOS005258028
    • Benzonitrile, 2-fluoro-6-phenoxy-
    • 2-fluoro-6--phenoxybenzonitrile
    • CK2135
    • DivK1c_001881
    • FBHXELGUZCMKQY-UHFFFAOYSA-N
    • CDS1_000841
    • Maybridge1_005593
    • DTXSID80372075
    • 2-Fluoro-6-phenoxybenzonitrile, AldrichCPR
    • PS-7971
    • CS-0313056
    • A811899
    • FT-0612399
    • BRD-K53297276-001-01-8
    • HMS557G05
    • MFCD00068201
    • 2-fluoro-6-phenoxy-benzonitrile
    • Oprea1_529843
    • DB-044125
    • MDL： MFCD00068201
    • Inchi： 1S/C13H8FNO/c14-12-7-4-8-13(11(12)9-15)16-10-5-2-1-3-6-10/h1-8H
    • InChI Key： FBHXELGUZCMKQY-UHFFFAOYSA-N
    • SMILES： FC1=CC=CC(=C1C#N)OC1C=CC=CC=1

Computed Properties

  • Exact Mass: 213.05900
  • Monoisotopic Mass: 213.059
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 2
  • Complexity: 266
  • 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: 3.3
  • Topological Polar Surface Area: 33A^2

Experimental Properties

  • Color/Form: powder
  • Density: 1.24
  • Melting Point: 90-93°C
  • Boiling Point: 308.5 °C at 760 mmHg
  • Flash Point: 140.4 °C
  • Refractive Index: 1.591
  • PSA: 33.02000
  • LogP: 3.48968
  • Solubility: Not determined

2-Fluoro-6-phenoxybenzonitrile Security Information

  • Hazard Statement： Toxic
  • Hazardous Material transportation number：3276
  • Hazard Category Code： 36/37/38-50-41-37/38
  • Safety Instruction： S26-S36/37/39
  • Hazardous Material Identification： T
  • Packing Group：III
  • Hazard Level：6.1
  • Safety Term：6.1
  • Packing Group：III
  • Risk Phrases：R22; R36/37/38
  • HazardClass：6.1
  • PackingGroup：III

2-Fluoro-6-phenoxybenzonitrile 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%

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