Cas no 1000339-52-5 (3-Fluoro-2-nitrobenzonitrile)

3-Fluoro-2-nitrobenzonitrile structure
3-Fluoro-2-nitrobenzonitrile structure
Product Name:3-Fluoro-2-nitrobenzonitrile
CAS No:1000339-52-5
MF:C7H3FN2O2
MW:166.10932469368
MDL:MFCD09864664
CID:838748
PubChem ID:26985266
Update Time:2025-04-19

3-Fluoro-2-nitrobenzonitrile Chemical and Physical Properties

Names and Identifiers

    • 3-Fluoro-2-nitrobenzonitrile
    • 2-Cyano-6-fluoronitrobenzene
    • BENZONITRILE, 3-FLUORO-2-NITRO-
    • 3-fluoro-2-nitrobenzenecarbonitrile
    • ANW-51432
    • CTK3J8412
    • PC1402
    • SBB087967
    • SureCN2875344
    • QKPJBJJXAQKHSR-UHFFFAOYSA-N
    • 2-Nitro-3-fluorobenzenecarbonitrile
    • CM13102
    • AS05858
    • FCH1146501
    • AX8208698
    • AB0034319
    • ST24028514
    • X8454
    • DB-348159
    • 1000339-52-5
    • EN300-135921
    • SY046028
    • SCHEMBL2875344
    • CS-0028778
    • MFCD09864664
    • DTXSID00650423
    • DTXCID60601173
    • AKOS015853113
    • 3-FLUORO-2-NITRO-BENZONITRILE
    • GS-4380
    • MDL: MFCD09864664
    • Inchi: 1S/C7H3FN2O2/c8-6-3-1-2-5(4-9)7(6)10(11)12/h1-3H
    • InChI Key: QKPJBJJXAQKHSR-UHFFFAOYSA-N
    • SMILES: FC1=CC=CC(C#N)=C1[N+](=O)[O-]

Computed Properties

  • Exact Mass: 166.01785550g/mol
  • Monoisotopic Mass: 166.01785550g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 0
  • Complexity: 229
  • 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: 69.6
  • XLogP3: 1.6

Experimental Properties

  • Color/Form: No data available
  • Density: 1.41±0.1 g/cm3 (20 oC 760 Torr),
  • Melting Point: No data available
  • Boiling Point: 312.7±27.0 °C at 760 mmHg
  • Flash Point: 142.9±23.7 °C
  • Solubility: Very slightly soluble (0.38 g/l) (25 o C),
  • PSA: 69.61000
  • LogP: 2.12878

3-Fluoro-2-nitrobenzonitrile Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
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