chempirical

Diphenylmethane diisocyanate

C15H10N2O2CAS 26447-40-5250.26 g/mol

Open in Covalent MOL file
NONO
Isocyanate

Properties

Molecular formula
C15H10N2O2
Molar mass
250.26 g/mol
Exact mass
250.0742 Da
logP
3.21Crippen estimate
Polar surface area
58.9 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
4

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
26447-40-5
SMILES
C1=CC(=CC=C1CC2=CC=C(C=C2)N=C=O)N=C=O
InChIKey
UPMLOUAZCHDJJD-UHFFFAOYSA-N
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

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

5 names
  • 1,1′-Methylenebis[isocyanatobenzene]
  • Benzene, 1,1′-methylenebis[isocyanato-
  • Isocyanic acid, methylenediphenylene ester
  • Bis(isocyanatophenyl)methane
  • Methylenebis(phenyl isocyanate)

Work with Diphenylmethane diisocyanate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Methylene diphenyl diisocyanate101-68-8

Similar compounds

p-Phenylene diisocyanate104-49-471 % similar 4-N-Butylphenyl isocyanate69342-47-860 % similar 4-Chlorophenyl isocyanate104-12-158 % similar Phenyl isocyanate103-71-956 % similar 4-Fluorophenyl isocyanate1195-45-556 % similar 4,4′,4′′-Triphenylmethane triisocyanate2422-91-556 % similar 4-Bromophenyl isocyanate2493-02-956 % similar 4-Methylphenyl isocyanate622-58-256 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

6-(Phenylamino)-5,8-quinolinedione91300-60-6

Elsewhere

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