Cas no 16499-52-8 (2-Nitro-5-(trifluoromethyl)benzonitrile)

2-Nitro-5-(trifluoromethyl)benzonitrile structure
16499-52-8 structure
Product Name:2-Nitro-5-(trifluoromethyl)benzonitrile
CAS No:16499-52-8
MF:C8H3F3N2O2
MW:216.116832017899
MDL:MFCD09264505
CID:139280
PubChem ID:26343877
Update Time:2025-04-19

2-Nitro-5-(trifluoromethyl)benzonitrile Chemical and Physical Properties

Names and Identifiers

    • 2-Nitro-5-(trifluoromethyl)benzonitrile
    • Benzonitrile,2-nitro-5-(trifluoromethyl)-
    • 2-Cyano-4-(trifluoromethyl)nitrobenzene
    • 2-Nitro-5-trifluormethyl-benzonitril
    • 3-Cyano-4-nitrobenzotrifluoride
    • CL9047
    • CTK4D1966
    • PC3155
    • SBB095208
    • alpha,alpha,alpha-Trifluoro-6-nitro-m-tolunitrile
    • 16499-52-8
    • SB74683
    • AS-46184
    • CS-0098656
    • MFCD09264505
    • (2-HYDROXY-3-METHACRYLOXYPROPYL)TRIMETHYLAMMONIUMCHLORIDE
    • DTXSID30649946
    • FHFVTHPGDCWXTD-UHFFFAOYSA-N
    • C8H3F3N2O2
    • AKOS015914392
    • 2-Cyano-4-(trifluoromethyl)nitrobenzene, 2-Nitro-5-(trifluoromethyl)benzonitrile
    • MDL: MFCD09264505
    • Inchi: 1S/C8H3F3N2O2/c9-8(10,11)6-1-2-7(13(14)15)5(3-6)4-12/h1-3H
    • InChI Key: FHFVTHPGDCWXTD-UHFFFAOYSA-N
    • SMILES: FC(C1C=CC(=C(C#N)C=1)[N+](=O)[O-])(F)F

Computed Properties

  • Exact Mass: 216.01469
  • Monoisotopic Mass: 216.01466183g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 2
  • Complexity: 301
  • 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
  • XLogP3: 1.9
  • Topological Polar Surface Area: 69.6?2

Experimental Properties

  • Density: 1.49
  • Boiling Point: 304 oC
  • Flash Point: 138 oC
  • PSA: 66.93

2-Nitro-5-(trifluoromethyl)benzonitrile Pricemore >>

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