Cas no 28886-07-9 (Benzene,1,1'-(phenylmethylene)bis[2,4-diisocyanato-5-methyl-)

Benzene,1,1'-(phenylmethylene)bis[2,4-diisocyanato-5-methyl- structure
28886-07-9 structure
Product Name:Benzene,1,1'-(phenylmethylene)bis[2,4-diisocyanato-5-methyl-
CAS No:28886-07-9
MF:C25H16N4O4
MW:436.4189453125
CID:272396
PubChem ID:3035254
Update Time:2025-04-19

Benzene,1,1'-(phenylmethylene)bis[2,4-diisocyanato-5-methyl- Chemical and Physical Properties

Names and Identifiers

    • 1-[(2,4-diisocyanato-5-methylphenyl)-phenylmethyl]-2,4-diisocyanato-5-methylbenzene
    • 1,1'-(phenylmethanediyl)bis(2,4-diisocyanato-5-methylbenzene)
    • 4,4'-Benzylidenebis(6-methyl-m-phenylene) tetraisocyanate
    • 1-[(2, 4-diisocyanato-5-methylphenyl)-phenylmethyl]-2, 4-diisocyanato-5-methylbenzene
    • EINECS 249-286-0
    • SCHEMBL7588864
    • DTXSID50183079
    • 28886-07-9
    • NS00028571
    • Benzene,1,1'-(phenylmethylene)bis[2,4-diisocyanato-5-methyl-
    • Inchi: 1S/C25H16N4O4/c1-16-8-19(23(28-14-32)10-21(16)26-12-30)25(18-6-4-3-5-7-18)20-9-17(2)22(27-13-31)11-24(20)29-15-33/h3-11,25H,1-2H3
    • InChI Key: OWQUXTJOSOUAFJ-UHFFFAOYSA-N
    • SMILES: O=C=NC1=CC(=C(C)C=C1C(C1C=CC=CC=1)C1C(=CC(=C(C)C=1)N=C=O)N=C=O)N=C=O

Computed Properties

  • Exact Mass: 436.11715500g/mol
  • Monoisotopic Mass: 436.11715500g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 8
  • Heavy Atom Count: 33
  • Rotatable Bond Count: 7
  • Complexity: 800
  • 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: 9.2
  • Topological Polar Surface Area: 118?2
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