Terminology Service for NFDI4Health
4-tolyl isocyanate
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http://purl.obolibrary.org/obo/CHEBI_53732
An isocyanate comprising a benzene core with isocyanato and methyl substituents para to each other.
Term info
Label
4-tolyl isocyanate
Synonyms
- 1-isocyanato-4-methylbenzene
- 4-Tolyl isocyanate
Subsets
3_STAR
charge
0
formula
C8H7NO
has obo namespace
chebi_ontology
has related synonym
p-Tolyl isocyanate, PTI, 4-Methylphenyl isocyanate, p-Isocyanatotoluene, 4-Isocyanatotoluene, Isocyanic acid, p-tolyl ester, p-Toluene isocyanate, p-Methylphenyl isocyanate, TMI, p-TMI, para-tolyl monoisocyanate, 4-Tol-NCO, p-tolylmonoisocyanate
id
CHEBI:53732
inchi
InChI=1S/C8H7NO/c1-7-2-4-8(5-3-7)9-6-10/h2-5H,1H3
inchikey
MGYGFNQQGAQEON-UHFFFAOYSA-N
mass
133.14730
monoisotopicmass
133.05276
smiles
Cc1ccc(cc1)N=C=O