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3,4-dimethylphenyl isocyanate
An isocyanate that consists of phenyl isocyanate bearing two additional methyl substituents at positions 3 and 4.


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03. Biological Effects of Specific Chemicals: hapten [CHEBI:59174] > 3,4-dimethylphenyl isocyanate [CHEBI:60098]
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03. Biological Effects of Specific Chemicals 
03. Biological Effects of Specific Chemicals
 hapten [CHEBI:59174] (92) 
 3,4-dimethylphenyl isocyanate [CHEBI:60098] (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) 
 3,4-dimethylphenyl isocyanate [CHEBI:60098] (1)
 chalcogen molecular entity [CHEBI:33304] (15225) 
 oxygen molecular entity [CHEBI:25806] (14414) 
 organooxygen compound [CHEBI:36963] (11352) 
 isocyanates [CHEBI:53212] (23) 
 3,4-dimethylphenyl isocyanate [CHEBI:60098] (1)
 organochalcogen compound [CHEBI:36962] (11874) 
 organooxygen compound [CHEBI:36963] (11352) 
 isocyanates [CHEBI:53212] (23) 
 3,4-dimethylphenyl isocyanate [CHEBI:60098] (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) 
 3,4-dimethylphenyl isocyanate [CHEBI:60098] (1)
 organochalcogen compound [CHEBI:36962] (11874) 
 organooxygen compound [CHEBI:36963] (11352) 
 isocyanates [CHEBI:53212] (23) 
 3,4-dimethylphenyl isocyanate [CHEBI:60098] (1)
ChEBI Compound Accession Identifier  [CHEBI:60098]
ChEBI Compound Description  An isocyanate that consists of phenyl isocyanate bearing two additional methyl substituents at positions 3 and 4.
ChEBI Compound Identification Number  60098
ChEBI InChI Value  InChI=1S/C9H9NO/c1-7-3-4-9(10-6-11)5-8(7)2/h3-5H,1-2H3
ChEBI InChIKey Value  AYCDBMRVKSXYKW-UHFFFAOYSA-N
ChEBI Compound Name  3,4-dimethylphenyl isocyanate
ChEBI SMILES Value  Cc1ccc(cc1C)N=C=O
ChEBI Substance ID  99319542
ChEBI URL  ChEBI:60098
ChemSpider ID  3591277
Ontomatica Chemical Accession Key (OnChAKey)  AYCDBMRVKSXYKW_UHFFFAOYSA_N_000_000000
PubChem Compound ID  4389663