Cas no 183325-39-5 (2-Chloro-4-fluoro-5-nitrobenzonitrile)

2-Chloro-4-fluoro-5-nitrobenzonitrile structure
183325-39-5 structure
Product Name:2-Chloro-4-fluoro-5-nitrobenzonitrile
CAS No:183325-39-5
MF:C7H2ClFN2O2
MW:200.55438375473
MDL:MFCD12913468
CID:1064750
PubChem ID:10726731
Update Time:2025-04-20

2-Chloro-4-fluoro-5-nitrobenzonitrile Chemical and Physical Properties

Names and Identifiers

    • 2-Chloro-4-fluoro-5-nitrobenzonitrile
    • LogP
    • 183325-39-5
    • OUJPFWISNRZAJD-UHFFFAOYSA-N
    • EN300-8152171
    • DB-303032
    • SCHEMBL1291838
    • CS-0196911
    • BS-51140
    • MFCD12913468
    • F72654
    • Benzonitrile, 2-chloro-4-fluoro-5-nitro-
    • MDL: MFCD12913468
    • Inchi: 1S/C7H2ClFN2O2/c8-5-2-6(9)7(11(12)13)1-4(5)3-10/h1-2H
    • InChI Key: OUJPFWISNRZAJD-UHFFFAOYSA-N
    • SMILES: ClC1C=C(C(=CC=1C#N)[N+](=O)[O-])F

Computed Properties

  • Exact Mass: 199.97896
  • Monoisotopic Mass: 199.9788832g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 1
  • Complexity: 259
  • 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: 2.2
  • Topological Polar Surface Area: 69.6?2

Experimental Properties

  • Color/Form: NA
  • Density: 1.6±0.1 g/cm3
  • Boiling Point: 312.0±42.0 °C at 760 mmHg
  • Flash Point: 141.6±23.7 °C
  • PSA: 66.93

2-Chloro-4-fluoro-5-nitrobenzonitrile Security Information

2-Chloro-4-fluoro-5-nitrobenzonitrile Pricemore >>

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abcr
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