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CHEBI:53732 - 4-tolyl isocyanate
| Formula | C8H7NO |
| Net Charge | 0 |
| Average Mass | 133.150 |
| Monoisotopic Mass | 133.05276 |
| SMILES | Cc1ccc(N=C=O)cc1 |
| InChI | InChI=1S/C8H7NO/c1-7-2-4-8(5-3-7)9-6-10/h2-5H,1H3 |
| InChIKey | MGYGFNQQGAQEON-UHFFFAOYSA-N |
| 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. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 4-tolyl isocyanate (CHEBI:53732) has role allergen (CHEBI:50904) |
| 4-tolyl isocyanate (CHEBI:53732) has role hapten (CHEBI:59174) |
| 4-tolyl isocyanate (CHEBI:53732) is a isocyanates (CHEBI:53212) |
| 4-tolyl isocyanate (CHEBI:53732) is a toluenes (CHEBI:27024) |
| IUPAC Name |
|---|
| 1-isocyanato-4-methylbenzene |
| Synonyms | Source |
|---|---|
| PTI | ChEBI |
| 4-Isocyanatotoluene | ChemIDplus |
| 4-Methylphenyl isocyanate | ChemIDplus |
| 4-Tolyl isocyanate | ChemIDplus |
| p-Isocyanatotoluene | ChemIDplus |
| p-Methylphenyl isocyanate | ChemIDplus |
| Citations |
|---|