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	No supplier information found for this compound.

Download	Molfile XML SDF

Wikipedia	License
para-Cresol, also 4-methylphenol, is an organic compound with the formula CH3C6H4(OH). It is a colourless solid that is widely used intermediate in the production of other chemicals. It is a derivative of phenol and is an isomer of o-cresol and m-cresol.
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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

Last Modified

12 March 2019