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more general categories information about this item 03. Biological Effects of Specific Chemicals 03. Biological Effects of Specific Chemicals hapten [CHEBI:59174] (92) 2-tolyl isocyanate [CHEBI:60099] (1) 08. Chemical Category 08. Chemical Category main group molecular entity [CHEBI:33579] (25650) p-block molecular entity [CHEBI:33675] (25343) pnictogen molecular entity [CHEBI:33302] (10027) nitrogen molecular entity [CHEBI:51143] (7930) organonitrogen compound [CHEBI:35352] (6705) isocyanates [CHEBI:53212] (23) 2-tolyl isocyanate [CHEBI:60099] (1) chalcogen molecular entity [CHEBI:33304] (15225) oxygen molecular entity [CHEBI:25806] (14414) organooxygen compound [CHEBI:36963] (11352) isocyanates [CHEBI:53212] (23) 2-tolyl isocyanate [CHEBI:60099] (1) organochalcogen compound [CHEBI:36962] (11874) organooxygen compound [CHEBI:36963] (11352) isocyanates [CHEBI:53212] (23) 2-tolyl isocyanate [CHEBI:60099] (1) carbon group molecular entity [CHEBI:33582] (23847) organic molecular entity [CHEBI:50860] (23769) heteroorganic entity [CHEBI:33285] (15197) organonitrogen compound [CHEBI:35352] (6705) isocyanates [CHEBI:53212] (23) 2-tolyl isocyanate [CHEBI:60099] (1) organochalcogen compound [CHEBI:36962] (11874) organooxygen compound [CHEBI:36963] (11352) isocyanates [CHEBI:53212] (23) 2-tolyl isocyanate [CHEBI:60099] (1) ChEBI Compound Accession Identifier: [CHEBI:60099] ChEBI Compound Description: An isocyanate comprising a benzene core with isocyanato- and methyl substituents ortho to each other. ChEBI Compound Identification Number: 60099 ChEBI InChI Value: InChI=1S/C8H7NO/c1-7-4-2-3-5-8(7)9-6-10/h2-5H,1H3 ChEBI InChIKey Value: VAYMIYBJLRRIFR-UHFFFAOYSA-N ChEBI Compound Name: 2-tolyl isocyanate ChEBI SMILES Value: Cc1ccccc1N=C=O ChEBI Substance ID: 99319543 ChEBI URL: ChEBI:60099 ChemSpider ID: NS Ontomatica Chemical Accession Key (OnChAKey): VAYMIYBJLRRIFR_UHFFFAOYSA_N_000_000000 PubChem Compound ID: 69194