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The Chemical Entities of Biological Interest (ChEBI) ontology is downloaded weekly from EMBL-EBI at The data is made available under the Creative Commons License (CC BY 3.0, For more information see: Degtyarenko et al. (2008) ChEBI: a database and ontology for chemical entities of biological interest. Nucleic Acids Res. 36, D344–D350.

Term:2-tolyl isocyanate
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Accession:CHEBI:60099 term browser browse the term
Definition:An isocyanate comprising a benzene core with isocyanato- and methyl substituents ortho to each other.
Synonyms:exact_synonym: 1-isocyanato-2-methylbenzene
 related_synonym: 2-Methylphenyl isocyanate;   2-methylphenylisocyanate;   2-toluene isocyanate;   Formula=C8H7NO;   InChI=1S/C8H7NO/c1-7-4-2-3-5-8(7)9-6-10/h2-5H,1H3;   InChIKey=VAYMIYBJLRRIFR-UHFFFAOYSA-N;   Isocyanic acid, o-tolyl ester;   SMILES=Cc1ccccc1N=C=O;   o-Methylphenyl isocyanate;   o-Toluene isocyanate;   o-Tolyl isocyanate
 xref: Beilstein:507985;   CAS:614-68-6;   Gmelin:364113;   PMID:20568997;   PMID:26100519;   Reaxys:507985

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Term Annotations click to browse term
  CHEBI ontology 19771
    role 19716
      biological role 19716
        hapten 3015
          2-tolyl isocyanate 0
Path 2
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  CHEBI ontology 19771
    subatomic particle 19770
      composite particle 19770
        hadron 19770
          baryon 19770
            nucleon 19770
              atomic nucleus 19770
                atom 19770
                  main group element atom 19658
                    p-block element atom 19658
                      carbon group element atom 19574
                        carbon atom 19564
                          organic molecular entity 19564
                            organic molecule 19497
                              organic cyclic compound 19321
                                carbocyclic compound 18297
                                  benzenoid aromatic compound 17402
                                    benzenes 17174
                                      toluenes 6249
                                        2-tolyl isocyanate 0
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