Cas no 333459-71-5 (Benzonitrile, 2-amino-6-chloro-3-nitro-)

Benzonitrile, 2-amino-6-chloro-3-nitro- structure
333459-71-5 structure
Product Name:Benzonitrile, 2-amino-6-chloro-3-nitro-
CAS No:333459-71-5
MF:C7H4ClN3O2
MW:197.578559875488
MDL:MFCD12828329
CID:292735
PubChem ID:11275627
Update Time:2025-09-22

Benzonitrile, 2-amino-6-chloro-3-nitro- Chemical and Physical Properties

Names and Identifiers

    • Benzonitrile, 2-amino-6-chloro-3-nitro-
    • 2-amino-6-chloro-3-nitrobenzonitrile
    • 2-amino-6-chloro-3-nitro-benzonitrile
    • MFCD12828329
    • GKTGWWMZIOEBPX-UHFFFAOYSA-N
    • AKOS001834798
    • DTXSID30460855
    • 333459-71-5
    • SCHEMBL2001345
    • DB-292885
    • G70880
    • MDL： MFCD12828329
    • Inchi： 1S/C7H4ClN3O2/c8-5-1-2-6(11(12)13)7(10)4(5)3-9/h1-2H,10H2
    • InChI Key： GKTGWWMZIOEBPX-UHFFFAOYSA-N
    • SMILES： ClC1C=CC(=C(C=1C#N)N)[N+](=O)[O-]

Computed Properties

  • Exact Mass: 196.99932
  • Monoisotopic Mass: 196.9992041g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 0
  • Complexity: 256
  • 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
  • Topological Polar Surface Area: 95.6?2

Experimental Properties

  • Density: 1.55±0.1 g/cm3 (20 oC 760 Torr),
  • Solubility: Almost insoluble (0.051 g/l) (25 o C),
  • PSA: 92.95

Benzonitrile, 2-amino-6-chloro-3-nitro- Pricemore >>

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