EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:53806 - phenyl isocyanate
| Formula | C7H5NO |
| Net Charge | 0 |
| Average Mass | 119.123 |
| Monoisotopic Mass | 119.03711 |
| SMILES | O=C=Nc1ccccc1 |
| InChI | InChI=1S/C7H5NO/c9-6-8-7-4-2-1-3-5-7/h1-5H |
| InChIKey | DGTNSSLYPYDJGL-UHFFFAOYSA-N |
| Wikipedia |
|---|
| Roles Classification |
|---|
| Biological Roles: | 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. 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. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| phenyl isocyanate (CHEBI:53806) has role allergen (CHEBI:50904) |
| phenyl isocyanate (CHEBI:53806) has role hapten (CHEBI:59174) |
| phenyl isocyanate (CHEBI:53806) is a benzenes (CHEBI:22712) |
| phenyl isocyanate (CHEBI:53806) is a isocyanates (CHEBI:53212) |
| IUPAC Name |
|---|
| isocyanatobenzene |
| Synonyms | Source |
|---|---|
| Carbanil | ChemIDplus |
| Phenyl carbonimide | ChemIDplus |
| Phenylcarbimide | ChemIDplus |
| PI | ChEBI |
| Phenyl isocyanate | ChEBI |
| PhNCO | ChEBI |
| Manual Xrefs | Databases |
|---|---|
| Phenylisocyanate | Wikipedia |
| Citations |
|---|