Terminology Service for NFDI4Health
2-tolyl isocyanate
Go to external page
http://purl.obolibrary.org/obo/CHEBI_60099
An isocyanate comprising a benzene core with isocyanato- and methyl substituents ortho to each other.
Term info
Label
2-tolyl isocyanate
Synonyms
- 1-isocyanato-2-methylbenzene
Subsets
3_STAR
charge
0
formula
C8H7NO
has obo namespace
chebi_ontology
has related synonym
o-Methylphenyl isocyanate, 2-methylphenylisocyanate, 2-toluene isocyanate, 2-Methylphenyl isocyanate, o-Tolyl isocyanate, o-Toluene isocyanate, Isocyanic acid, o-tolyl ester
id
CHEBI:60099
inchi
InChI=1S/C8H7NO/c1-7-4-2-3-5-8(7)9-6-10/h2-5H,1H3
inchikey
VAYMIYBJLRRIFR-UHFFFAOYSA-N
mass
133.14730
monoisotopicmass
133.05276
smiles
Cc1ccccc1N=C=O