Search Result : Detailed Informations

Low Mol Weight Allergen Name	CAS#	CID
Toluene diisocyanate TDI / Toluene-2,4-diisocyanate	584-84-9	11443

Structure

Other Information

Canonical SMILES	CC1=C(C=C(C=C1)N=C=O)N=C=O
Iso SMILES	CC1=C(C=C(C=C1)N=C=O)N=C=O
InChI	InChI=1S/C9H6N2O2/c1-7-2-3-8(10-5-12)4-9(7)11-6-13/h2-4H,1H3
InChI Key	DVKJHBMWWAPEIU-UHFFFAOYSA-N
Formula	C9H6N2O2
Mol Weight	174.156
XlogP3	3.9
Charge	0

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Synonyms Information

CAS Name	2,4-diisocyanato-1-methylbenzene
IUPAC Name	2,4-diisocyanato-1-methyl-benzene
Openeye Name	2,4-diisocyanato-1-methylbenzene
Systematic Name	2,4-diisocyanato-1-methyl-benzene
Tratitional Name	2,4-diisocyanato-1-methyl-benzene