CHEBI:53806 - phenyl isocyanate

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ChEBI Name phenyl isocyanate
ChEBI ID CHEBI:53806
Definition An isocyanate composed of a benzene ring bearing a single isocyanato substituent.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C7H5NO
Net Charge 0
Average Mass 119.12070
Monoisotopic Mass 119.03711
InChI InChI=1S/C7H5NO/c9-6-8-7-4-2-1-3-5-7/h1-5H
InChIKey DGTNSSLYPYDJGL-UHFFFAOYSA-N
SMILES O=C=Nc1ccccc1
Roles Classification
Biological Role(s): 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.
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ChEBI Ontology
Outgoing 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 Sources
Carbanil ChemIDplus
Isocyanic acid, phenyl ester ChemIDplus
Phenyl carbonimide ChemIDplus
Phenyl isocyanate ChEBI
Phenylcarbimide ChemIDplus
PhNCO ChEBI
PI ChEBI
PIC ChEBI
Manual Xref Database
Phenylisocyanate Wikipedia
View more database links
Registry Numbers Types Sources
103-71-9 CAS Registry Number ChemIDplus
103-71-9 CAS Registry Number NIST Chemistry WebBook
471391 Reaxys Registry Number Reaxys
471391 Beilstein Registry Number Beilstein
Citations Waiting for Citations Types Sources
12814266 PubMed citation Europe PMC
21878336 PubMed citation Europe PMC
24446265 PubMed citation Europe PMC
25532938 PubMed citation Europe PMC
28295200 PubMed citation Europe PMC
2979745 PubMed citation Europe PMC
6296214 PubMed citation Europe PMC
6821040 PubMed citation Europe PMC
7737433 PubMed citation Europe PMC
8960156 PubMed citation Europe PMC
Last Modified
12 марта 2019