toluene 2,4-diisocyanate (CHEBI:53556)

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ChEBI Name	toluene 2,4-diisocyanate

ChEBI ID	CHEBI:53556

Definition	A toluene meta-diisocyanate in which the isocyanato groups are at positions 2 and 4 relative to the methyl group on the benzene ring.

Stars	This entity has been manually annotated by the ChEBI Team.

Supplier Information	ChemicalBook:CB9348457, ChemicalBook:CB6170855, eMolecules:488999, ZINC000001680402

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Formula

C9H6N2O2

Net Charge

Average Mass

174.15610

Monoisotopic Mass

174.04293

InChI

InChI=1S/C9H6N2O2/c1-7-2-3-8(10-5-12)4-9(7)11-6-13/h2-4H,1H3

InChIKey

DVKJHBMWWAPEIU-UHFFFAOYSA-N

SMILES

Cc1ccc(cc1N=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 ) hapten 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.

ChEBI Ontology
Outgoing	toluene 2,4-diisocyanate (CHEBI:53556) has role allergen (CHEBI:50904) toluene 2,4-diisocyanate (CHEBI:53556) has role hapten (CHEBI:59174) toluene 2,4-diisocyanate (CHEBI:53556) is a toluene meta-diisocyanate (CHEBI:53555)

IUPAC Name

2,4-diisocyanato-1-methylbenzene

Synonyms	Sources
2,4-Diisocyanatotoluene	ChemIDplus
2,4-TDI	ChemIDplus
2,4-Toluene diisocyanate	ChemIDplus
2,4-Tolylene diisocyanate	ChemIDplus
4-Methyl-m-phenylene diisocyanate	ChemIDplus
Isocyanic acid, 4-methyl-m-phenylene ester	ChemIDplus
TDI	ChEBI
toluene-2,4-diyl diisocyanate	ChEBI
Toluylene-2,4-diisocyanate	NIST Chemistry WebBook
Tolylene-2,4-diisocyanate	NIST Chemistry WebBook

Citations

Last Modified

12 March 2019