CHEBI:55312 - diphenylmethane monoisocyanate

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name diphenylmethane monoisocyanate
ChEBI ID CHEBI:55312
Definition An isocyanate that is the 4-isocyanato derivative of diphenylmethane.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C14H11NO
Net Charge 0
Average Mass 209.24320
Monoisotopic Mass 209.08406
InChI InChI=1S/C14H11NO/c16-11-15-14-8-6-13(7-9-14)10-12-4-2-1-3-5-12/h1-9H,10H2
InChIKey AGAYZDNGCFSGLT-UHFFFAOYSA-N
SMILES O=C=Nc1ccc(Cc2ccccc2)cc1
Roles Classification
Biological Role(s): allergen
A chemical compound, or part thereof, which causes the onset of an allergic reaction by interacting with any of the molecular pathways involved in an allergy.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing diphenylmethane monoisocyanate (CHEBI:55312) has role allergen (CHEBI:50904)
diphenylmethane monoisocyanate (CHEBI:55312) is a isocyanates (CHEBI:53212)
IUPAC Name
1-benzyl-4-isocyanatobenzene
Synonyms Sources
4-isocyanato-4'-diphenylmethane
Note: (2010-03-24) Misnomer appearing in PMID:3810654.
 ChEBI
4-isocyanatodiphenylmethane ChEBI
alpha-Phenyl-p-tolyl isocyanate ChemIDplus
IDM ChEBI
Isocyanic acid, alpha-phenyl-p-tolyl ester ChemIDplus
MMI ChEBI
Manual Xref Database
GB1006156 Patent
View more database links
Registry Numbers Types Sources
1823-37-6 CAS Registry Number ChemIDplus
2938232 Reaxys Registry Number Reaxys
2938232 Beilstein Registry Number Beilstein
Citations Waiting for Citations Types Sources
3810654 PubMed citation Europe PMC
6296214 PubMed citation Europe PMC
Last Modified
12 March 2019