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CHEBI:53218 - diphenylmethane-4,4'-diisocyanate
| Formula | C15H10N2O2 |
| Net Charge | 0 |
| Average Mass | 250.257 |
| Monoisotopic Mass | 250.07423 |
| SMILES | O=C=Nc1ccc(Cc2ccc(N=C=O)cc2)cc1 |
| 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 |
| Wikipedia |
|---|
| Roles Classification |
|---|
| Biological Roles: | 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, or part thereof, which causes the onset of an allergic reaction by interacting with any of the molecular pathways involved in an allergy. 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-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 | Source |
|---|---|
| 1,1'-Methylenebis(4-isocyanatobenzene) | ChemIDplus |
| 4,4'-Diisocyanatodiphenylmethane | ChemIDplus |
| 4,4'-Diphenylmethane diisocyanate | ChemIDplus |
| 4,4'-Methylenebis(phenyl isocyanate) | ChemIDplus |
| 4,4'-Methylenedi(phenyl isocyanate) | ChemIDplus |
| 4,4'-Methylenedi-p-phenylene diisocyanate | ChemIDplus |
| Manual Xrefs | Databases |
|---|---|
| C19453 | KEGG COMPOUND |
| Diphenylmethane_diisocyanate | Wikipedia |
| WO2010121997 | Patent |
| Citations |
|---|