CHEBI:53218 - diphenylmethane-4,4'-diisocyanate

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ChEBI Name diphenylmethane-4,4'-diisocyanate
ChEBI ID CHEBI:53218
Definition A diisocyanate consisting of diphenylmethane with two isocyanate groups at the 4- and 4'-positions.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C15H10N2O2
Net Charge 0
Average Mass 250.25210
Monoisotopic Mass 250.074
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
SMILES O=C=Nc1ccc(Cc2ccc(cc2)N=C=O)cc1
Roles Classification
Biological Role(s): hapten
Any substance capable of eliciting an immune response only when attached to a large carrier such as a protein. Examples include dinitrophenols; oligosaccharides; peptides; and heavy metals.
allergen
A chemical compound which causes the onset of an allergic reaction by interacting with any of the molecular pathways involved in an allergy.
(via diisocyanate )
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ChEBI Ontology
Outgoing diphenylmethane-4,4'-diisocyanate (CHEBI:53218) has parent hydride diphenylmethane (CHEBI:38884)
diphenylmethane-4,4'-diisocyanate (CHEBI:53218) has role allergen (CHEBI:50904)
diphenylmethane-4,4'-diisocyanate (CHEBI:53218) has role hapten (CHEBI:59174)
diphenylmethane-4,4'-diisocyanate (CHEBI:53218) is a diisocyanate (CHEBI:53213)
IUPAC Name
1,1'-methylenebis(4-isocyanatobenzene)
Synonyms Sources
1,1'-Methylenebis(4-isocyanatobenzene) ChemIDplus
4,4'-Diisocyanatodiphenylmethane ChemIDplus
4,4'-Diphenylmethane diisocyanate ChemIDplus
4,4'-methylene diphenyl diisocyanate ChEBI
4,4'-Methylenebis(phenyl isocyanate) ChemIDplus
4,4'-Methylenedi(phenyl isocyanate) ChemIDplus
4,4'-Methylenedi-p-phenylene diisocyanate ChemIDplus
4,4'-Methylenediphenyl diisocyanate ChemIDplus
4,4'-Methylenediphenyl isocyanate ChemIDplus
4,4'-Methylenediphenylene diisocyanate ChemIDplus
4,4'-Methylenediphenylene isocyanate ChemIDplus
4-4'-Diisocyanate de diphenylmethane ChemIDplus
Bis(1,4-isocyanatophenyl)methane ChemIDplus
Bis(4-isocyanatophenyl)methane ChemIDplus
Bis(p-isocyanatophenyl)methane ChemIDplus
Bis(para-isocyanatophenyl)methane ChemIDplus
Diphenyl methane diisocyanate ChemIDplus
Diphenylmethan-4,4'-diisocyanat ChemIDplus
Diphenylmethane diisocyanate ChemIDplus
Diphenylmethane-4,4'-diisocyanate NIST Chemistry WebBook
Diphenylmethyl diisocyanate ChemIDplus
MDI ChemIDplus
MDR ChemIDplus
Methylbisphenyl isocyanate ChemIDplus
Methylene bisphenyl isocyanate ChemIDplus
Methylene di-p-phenylene isocyanate ChemIDplus
Methylene diphenyl diisocyanate ChEBI
Methylenebis(4-isocyanatobenzene) ChemIDplus
Methylenebis(4-phenyl isocyanate) ChemIDplus
Methylenebis(4-phenylene isocyanate) ChemIDplus
Methylenebis(p-phenyl isocyanate) ChemIDplus
Methylenebis(p-phenylene isocyanate) ChemIDplus
Methylenebis(para-phenyl isocyanate) ChemIDplus
Methylenebis(para-phenylene isocyanate) ChemIDplus
Methylenebisphenyl diisocyanate KEGG COMPOUND
Methylenedi-p-phenylene diisocyanate ChemIDplus
Methylenedi-para-phenylene diisocyanate ChemIDplus
p,p'-Diphenylmethane diisocyanate ChemIDplus
p,p'-Methylenebis(phenyl isocyanate) ChemIDplus
para,para'-Diphenylmethane diisocyanate ChemIDplus
para,para'-Methylenebis(phenyl isocyanate) ChemIDplus
Database Links Databases
C19453 KEGG COMPOUND
Diphenylmethane_diisocyanate Wikipedia
WO2010121997 Patent
View more database links
Registry Numbers Types Sources
101-68-8 CAS Registry Number ChemIDplus
101-68-8 CAS Registry Number NIST Chemistry WebBook
166464 Gmelin Registry Number Gmelin
797662 Reaxys Registry Number Reaxys
797662 Beilstein Registry Number Beilstein
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Last Modified
21 March 2016