Cas no 21132-81-0 (Benzene,2-isocyanato-1,3-bis[(2-isocyanatophenyl)methyl]-)

Benzene,2-isocyanato-1,3-bis[(2-isocyanatophenyl)methyl]- structure
21132-81-0 structure
Product Name:Benzene,2-isocyanato-1,3-bis[(2-isocyanatophenyl)methyl]-
CAS No:21132-81-0
MF:C23H15N3O3
MW:381.383505105972
CID:259947
PubChem ID:88796
Update Time:2025-04-19

Benzene,2-isocyanato-1,3-bis[(2-isocyanatophenyl)methyl]- Chemical and Physical Properties

Names and Identifiers

    • Benzene,2-isocyanato-1,3-bis[(2-isocyanatophenyl)methyl]-
    • 2,6-Bis(o-isocyanatobenzyl)phenyl isocyanate
    • 2-isocyanato-1,3-bis(2-isocyanatobenzyl)benzene
    • SCHEMBL1396461
    • DTXSID10943454
    • 2,6-Bis-(o-isocyanatobenzyl)phenyl isocyanate
    • NS00050973
    • 21132-81-0
    • 1,1'-[(2-Isocyanato-1,3-phenylene)bis(methylene)]bis(2-isocyanatobenzene)
    • EINECS 244-233-8
    • Inchi： 1S/C23H15N3O3/c27-14-24-21-10-3-1-6-17(21)12-19-8-5-9-20(23(19)26-16-29)13-18-7-2-4-11-22(18)25-15-28/h1-11H,12-13H2
    • InChI Key： BNOSAGKHYAMZGF-UHFFFAOYSA-N
    • SMILES： O=C=NC1C(=CC=CC=1CC1C=CC=CC=1N=C=O)CC1C=CC=CC=1N=C=O

Computed Properties

  • Exact Mass: 381.11145
  • Monoisotopic Mass: 381.111
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 29
  • Rotatable Bond Count: 7
  • Complexity: 629
  • 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: 8.2
  • Topological Polar Surface Area: 88.3?2

Experimental Properties

  • Density: 1.18
  • Boiling Point: 541.4°C at 760 mmHg
  • Flash Point: 221.1°C
  • Refractive Index: 1.614
  • PSA: 88.29

Benzene,2-isocyanato-1,3-bis[(2-isocyanatophenyl)methyl]- Related Literature

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