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CHEBI:55312 - diphenylmethane monoisocyanate

ChEBI IDCHEBI:55312
ChEBI Namediphenylmethane monoisocyanate
Stars
DefinitionAn isocyanate that is the 4-isocyanato derivative of diphenylmethane.
Last Modified12 March 2019
Submitterzjosephs
DownloadsMolfile
FormulaC14H11NO
Net Charge0
Average Mass209.248
Monoisotopic Mass209.08406
SMILESO=C=Nc1ccc(Cc2ccccc2)cc1
InChIInChI=1S/C14H11NO/c16-11-15-14-8-6-13(7-9-14)10-12-4-2-1-3-5-12/h1-9H,10H2
InChIKeyAGAYZDNGCFSGLT-UHFFFAOYSA-N
Roles Classification
Biological Role:
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.
ChEBI Ontology
Outgoing Relation(s)
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  Source
alpha-Phenyl-p-tolyl isocyanateChemIDplus
MMIChEBI
4-isocyanato-4'-diphenylmethaneChEBI
4-isocyanatodiphenylmethaneChEBI
IDMChEBI
Isocyanic acid, alpha-phenyl-p-tolyl esterChemIDplus
Manual XrefsDatabases
GB1006156Patent
Registry NumbersSources
Reaxys:2938232Reaxys
CAS:1823-37-6ChemIDplus
Citations