Cas no 874781-08-5 (2-Chloro-3-fluorobenzonitrile)

2-Chloro-3-fluorobenzonitrile structure
2-Chloro-3-fluorobenzonitrile structure
Product Name:2-Chloro-3-fluorobenzonitrile
CAS No:874781-08-5
MF:C7H3ClFN
MW:155.556823968887
MDL:MFCD03407966
CID:69207
PubChem ID:3723586
Update Time:2024-10-26

2-Chloro-3-fluorobenzonitrile Chemical and Physical Properties

Names and Identifiers

    • 2-CHLORO-3-FLUOROBENZONITRILE
    • 3-Fluoro-2-chlorobenzonitrile
    • 2-chloro-3-fluoro-benzonitrile
    • Benzonitrile, 2-chloro-3-fluoro-
    • PubChem3554
    • Benzonitrile,2-chloro-3-fluoro-
    • ROXFZJBRIXTCPI-UHFFFAOYSA-N
    • WT076
    • 2-chloro-3-fluorobenzenecarbonitrile
    • SBB064499
    • AM62123
    • AS01638
    • CM13000
    • EN001716
    • 2-Chloro-3-fluorobenzonitr
    • 2-Chloro-3-fluorobenzonitrile (ACI)
    • DTXSID00395544
    • CS-0067110
    • SCHEMBL210737
    • DB-006044
    • 2-Chloro-3-fluorobenzonitrile, AldrichCPR
    • AC-4040
    • PS-8862
    • SY032241
    • AKOS005063968
    • F0001-2179
    • 874781-08-5
    • MFCD03407966
    • 2-Chloro-3-fluorobenzonitrile
    • MDL: MFCD03407966
    • Inchi: 1S/C7H3ClFN/c8-7-5(4-10)2-1-3-6(7)9/h1-3H
    • InChI Key: ROXFZJBRIXTCPI-UHFFFAOYSA-N
    • SMILES: N#CC1C(Cl)=C(F)C=CC=1

Computed Properties

  • Exact Mass: 154.99400
  • Monoisotopic Mass: 154.9938050g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 0
  • Complexity: 162
  • 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: 23.8
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: 2.4

Experimental Properties

  • Density: 1.3±0.1 g/cm3
  • Melting Point: 55-56℃
  • Boiling Point: 232.7℃ at 760 mmHg
  • Flash Point: 94.5±21.8 °C
  • PSA: 23.79000
  • LogP: 2.35078
  • Vapor Pressure: 0.1±0.5 mmHg at 25°C

2-Chloro-3-fluorobenzonitrile Security Information

2-Chloro-3-fluorobenzonitrile Pricemore >>

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