Cas no 7431-46-1 (1,2,4,5-Benzenetetracarbonitrile, compd. with benzene (1:1))

1,2,4,5-Benzenetetracarbonitrile, compd. with benzene (1:1) structure
7431-46-1 structure
Product Name:1,2,4,5-Benzenetetracarbonitrile, compd. with benzene (1:1)
CAS No:7431-46-1
MF:C16H8N4
MW:256.261522293091
CID:541212
PubChem ID:71403998
Update Time:2025-04-19

1,2,4,5-Benzenetetracarbonitrile, compd. with benzene (1:1) Chemical and Physical Properties

Names and Identifiers

    • 1,2,4,5-Benzenetetracarbonitrile, compd. with benzene (1:1)
    • benzene,benzene-1,2,4,5-tetracarbonitrile
    • DTXSID00824869
    • Benzene-1,2,4,5-tetracarbonitrile--benzene (1/1)
    • 7431-46-1
    • Inchi: 1S/C10H2N4.C6H6/c11-3-7-1-8(4-12)10(6-14)2-9(7)5-13;1-2-4-6-5-3-1/h1-2H;1-6H
    • InChI Key: NJGHPAGFDACFEF-UHFFFAOYSA-N
    • SMILES: N#CC1C=C(C#N)C(C#N)=CC=1C#N.C1C=CC=CC=1

Computed Properties

  • Exact Mass: 256.07504
  • Monoisotopic Mass: 256.074896272g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 20
  • Rotatable Bond Count: 0
  • Complexity: 348
  • Covalently-Bonded Unit Count: 2
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 95.2?2

Experimental Properties

  • PSA: 95.16
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