CHEBI:53557 - toluene 2,6-diisocyanate

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ChEBI Name toluene 2,6-diisocyanate
Definition A toluene meta-diisocyanate in which the isocyanato groups are at positions 2 and 6 relative to the methyl group on the benzene ring.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C9H6N2O2
Net Charge 0
Average Mass 174.15610
Monoisotopic Mass 174.04293
InChI InChI=1S/C9H6N2O2/c1-7-8(10-5-12)3-2-4-9(7)11-6-13/h2-4H,1H3
SMILES Cc1c(cccc1N=C=O)N=C=O
Roles Classification
Biological Role(s): allergen
A chemical compound, or part thereof, which causes the onset of an allergic reaction by interacting with any of the molecular pathways involved in an allergy.
(via toluene meta-diisocyanate )
(via diisocyanate )
Any substance capable of eliciting an immune response only when attached to a large carrier such as a protein. Examples include dinitrophenols; oligosaccharides; peptides; and heavy metals.
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ChEBI Ontology
Outgoing toluene 2,6-diisocyanate (CHEBI:53557) has role allergen (CHEBI:50904)
toluene 2,6-diisocyanate (CHEBI:53557) has role hapten (CHEBI:59174)
toluene 2,6-diisocyanate (CHEBI:53557) is a toluene meta-diisocyanate (CHEBI:53555)
Synonyms Sources
2,6-Diisocyanato-1-methylbenzene ChemIDplus
2,6-Diisocyanatotoluene ChemIDplus
2,6-Toluene diisocyanate ChemIDplus
2-Methyl-meta-phenylene isocyanate ChemIDplus
Isocyanic acid, 2-methyl-meta-phenylene ester ChemIDplus
m-Tolylene diisocyanate ChemIDplus
meta-Tolylene diisocyanate ChemIDplus
Manual Xref Database
Toluene_diisocyanate Wikipedia
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Registry Numbers Types Sources
2211546 Reaxys Registry Number Reaxys
2211546 Beilstein Registry Number Beilstein
91-08-7 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
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Last Modified
12 March 2019