Cas no 20909-03-9 (Benzylidene, a-cyano-p-nitro- (8CI))

Benzylidene, a-cyano-p-nitro- (8CI) structure
20909-03-9 structure
Product Name:Benzylidene, a-cyano-p-nitro- (8CI)
CAS No:20909-03-9
MF:C8H4N2O2
MW:160.129561424255
CID:241775
PubChem ID:45121158
Update Time:2025-04-19

Benzylidene, a-cyano-p-nitro- (8CI) Chemical and Physical Properties

Names and Identifiers

    • Benzylidene, a-cyano-p-nitro- (8CI)
    • Methylene,cyano(p-nitrophenyl)-
    • Benzylidene,-alpha--cyano-p-nitro-(8ci)
    • 20909-03-9
    • Inchi: 1S/C8H4N2O2/c9-6-5-7-1-3-8(4-2-7)10(11)12/h1-4H
    • InChI Key: MPCYMWXWESIXKX-UHFFFAOYSA-N
    • SMILES: [O-][N+](C1C=CC([C]C#N)=CC=1)=O |^4:6|

Computed Properties

  • Exact Mass: 162.043
  • Monoisotopic Mass: 162.043
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 1
  • Complexity: 205
  • 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: 1.4
  • Topological Polar Surface Area: 69.6A^2

Experimental Properties

  • Color/Form: 奶油色至黃色結(jié)晶粉末
  • Density: 1.272
  • Melting Point: 114-118℃
  • Boiling Point: 195-197℃ (12.0 mmHg)
  • Flash Point: 157.2 °C
  • Refractive Index: 1.577
  • PSA: 69.61000
  • LogP: 2.18408

Benzylidene, a-cyano-p-nitro- (8CI) Security Information

  • Storage Condition:Store in tightly closed containers. Store in a cool, dry, well ventilated area away from incompatible substances.
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