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Term:2,5-dimethylphenyl isocyanate
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Accession:CHEBI:60097 term browser browse the term
Definition:An isocyanate that consists of phenyl isocyanate bearing two additional methyl substituents at positions 2 and 5.
Synonyms:exact_synonym: 2-isocyanato-1,4-dimethylbenzene
 related_synonym: 2,5-dimethyl phenylisocyanate;   2,5-dimethylphenylisocyanate;   Formula=C9H9NO;   InChI=1S/C9H9NO/c1-7-3-4-8(2)9(5-7)10-6-11/h3-5H,1-2H3;   InChIKey=SOXVXJQIQVOCAY-UHFFFAOYSA-N;   SMILES=Cc1ccc(C)c(c1)N=C=O
 xref: Beilstein:1100841 "Beilstein";   CAS:40397-98-6 "ChemIDplus";   PMID:11708910 "Europe PMC";   PMID:20568997 "Europe PMC";   PMID:21878336 "Europe PMC";   PMID:23441814 "Europe PMC";   Reaxys:1100841 "Reaxys"

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Term Annotations click to browse term
  CHEBI ontology 19716
    role 19663
      biological role 19661
        hapten 2975
          2,5-dimethylphenyl isocyanate 0
Path 2
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  CHEBI ontology 19716
    subatomic particle 19712
      composite particle 19712
        hadron 19712
          baryon 19712
            nucleon 19712
              atomic nucleus 19712
                atom 19712
                  main group element atom 19598
                    p-block element atom 19598
                      carbon group element atom 19486
                        carbon atom 19480
                          organic molecular entity 19480
                            heteroorganic entity 19055
                              organochalcogen compound 18777
                                organooxygen compound 18689
                                  isocyanates 337
                                    2,5-dimethylphenyl isocyanate 0
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RGD is funded by grant HL64541 from the National Heart, Lung, and Blood Institute on behalf of the NIH.