Molecule record

1-isocyanato-4-[(4-isocyanatophenyl)methyl]benzene

C15H10N2O2

250.26 g/mol

Loading structure

Molecular properties

Formula
C15H10N2O2
Molar mass
250.26 g·mol−1
Exact mass
250.0742 Da
12
PubChem CID
7570

Functional groups

Alkane / alkyl carbon
Aromatic ring

Physical properties

No source-backed physical properties are curated for this molecule yet.

Common names and synonyms

  • 1,1'-Methylenebis(4-isocyanatobenzene)
  • 101-68-8
  • 4,4'-Diisocyanatodiphenylmethane
  • 4,4'-Diphenylmethane diisocyanate
  • 4,4'-Methylenebis(phenyl isocyanate)
  • 4,4'-Methylenediphenyl diisocyanate
  • Bis(1,4-isocyanatophenyl)methane
  • Bis(4-isocyanatophenyl)methane
Show all 24 synonyms
  • Bis(p-isocyanatophenyl)methane
  • Caradate 30
  • Desmodur 44
  • Diphenylmethane diisocyanate
  • Diphenylmethyl diisocyanate
  • Hylene M50
  • Isonate
  • Isonate 125 MF
  • Isonate 125M
  • Methylbisphenyl isocyanate
  • Methylene bisphenyl isocyanate
  • Methylenebis(4-phenyl isocyanate)
  • Nacconate 300
  • Rubinate 44
  • diphenylmethane-4,4'-diisocyanate
  • p,p'-Diphenylmethane diisocyanate

Structure identifiers

Canonical SMILES
O=C=Nc1ccc(Cc2ccc(N=C=O)cc2)cc1
Isomeric SMILES
C1=CC(=CC=C1CC2=CC=C(C=C2)N=C=O)N=C=O
InChI
InChI=1S/C15H10N2O2/c18-10-16-14-5-1-12(2-6-14)9-13-3-7-15(8-4-13)17-11-19/h1-8H,9H2
InChIKey
UPMLOUAZCHDJJD-UHFFFAOYSA-N
PubChem CID
7570

Spectroscopy

Tabs appear only for spectra stored with clear provenance.

Open library
No redistributable or simulated spectroscopy record is attached yet.

Simulated NMR

On-demand educational prediction for 1-isocyanato-4-[(4-isocyanatophenyl)methyl]benzene; not experimental data.

Simulated EI mass spectrum

On-demand educational fragmentation for 1-isocyanato-4-[(4-isocyanatophenyl)methyl]benzene; not experimental data.

Sources

Molecule identity

Retrieved 8/20/2026. Reuse status is summarized by the badge; open the source for full details.

Open source record