Cas no 3456-75-5 (2-(5-fluoro-2-nitrophenyl)acetonitrile)

2-(5-fluoro-2-nitrophenyl)acetonitrile structure
3456-75-5 structure
Product Name:2-(5-fluoro-2-nitrophenyl)acetonitrile
CAS No:3456-75-5
MF:C8H5FN2O2
MW:180.13590502739
MDL:MFCD00039742
CID:84749
PubChem ID:18945
Update Time:2025-04-18

2-(5-fluoro-2-nitrophenyl)acetonitrile Chemical and Physical Properties

Names and Identifiers

    • 5-Fluoro-2-nitrophenylacetonitrile
    • 2-(5-fluoro-2-nitrophenyl)acetonitrile
    • Acetonitrile,(5-fluoro-2-nitrophenyl)
    • ACETONITRILE,2-(5-FLUORO-2-NITROPHENYL)
    • AmbkkkkK707
    • Benzeneacetonitrile,5-fluoro-2-nitro
    • DTXSID20188096
    • (5-fluoro-2-nitrophenyl)acetonitrile
    • BRN 2617246
    • Benzeneacetonitrile, 5-fluoro-2-nitro-
    • AS-46156
    • MFCD00039742
    • ACETONITRILE, 2-(5-FLUORO-2-NITROPHENYL)-
    • CS-0314088
    • FT-0634865
    • SCHEMBL10687053
    • 3456-75-5
    • YETOJTGGLXHUCS-UHFFFAOYSA-N
    • AKOS005257707
    • 5-Fluoro-2-nitrobenzeneacetonitrile
    • Acetonitrile, (5-fluoro-2-nitrophenyl)-
    • CL8965
    • BP-13097
    • DB-048647
    • BBL101303
    • STL555099
    • MDL： MFCD00039742
    • Inchi： 1S/C8H5FN2O2/c9-7-1-2-8(11(12)13)6(5-7)3-4-10/h1-2,5H,3H2
    • InChI Key： YETOJTGGLXHUCS-UHFFFAOYSA-N
    • SMILES： FC1C=CC(=C(CC#N)C=1)[N+](=O)[O-]

Computed Properties

  • Exact Mass: 180.03400
  • Monoisotopic Mass: 180.034
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 2
  • Complexity: 242
  • 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: 1.5
  • Topological Polar Surface Area: 69.6A^2

Experimental Properties

  • Color/Form: Grayish yellow crystal
  • Density: 1.367
  • Melting Point: 70-72°C
  • Boiling Point: 303.6°Cat760mmHg
  • Flash Point: 137.4°C
  • Refractive Index: 1.554
  • PSA: 69.61000
  • LogP: 2.32318
  • Solubility: Not determined

2-(5-fluoro-2-nitrophenyl)acetonitrile Security Information

  • Hazardous Material transportation number：UN3439
  • RTECS：AM0200000
  • HazardClass：6.1
  • PackingGroup：III
  • Packing Group：III
  • Hazard Level：6.1
  • Safety Term：6.1
  • Packing Group：III

2-(5-fluoro-2-nitrophenyl)acetonitrile 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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