1,3-Diisocyanato-2-methylbenzene--2,4-diisocyanato-1-methylbenzene (1/1)

1,3-diisocyanato-2-methylbenzene;2,4-diisocyanato-1-methylbenzene

Also Known As: TOLUENE DIISOCYANATE|Tolylene diisocyanate|AC1L1PRE|RefChem:1052853|1,3-Diisocyanatomethylbenzene|LNKSOGFDOODVSP-UHFFFAOYSA-N|Benzene, 1,3-diisocyanatomethyl-|T0264|2,4-tolylene diisocyanate 2,6-tolylene diisocyanate|(C9-H6-N2-O2.C9-H6-N2-O2)x-|2,4-Toluene diisocyanate, 2,6-toluene diisocyanate polymer|A1237483|2,6-TOLUENE DIISOCYANATE; TOLUENE DIISOCYANATE|Benzene, 1,3-diisocyanato-2-methyl-, polymer with 2,4-diisocyanato-1-methylbenzene|1,3-Diisocyanato-2-methylbenzene--2,4-diisocyanato-1-methylbenzene (1/1)|1,3-diisocyanato-2-methyl-benzene;2,4-diisocyanato-1-methyl-benzene|1,3-diisocyanato-2-methylbenzene; 2,4-diisocyanato-1-methylbenzene|1,3-diisocyanato-2-methylbenzene;2,4-diisocyanato-1-methylbenzene|Toluene diisocyanate (mixture of 2,4-80% and 2,6-20% isomers)|1,3-Diisocyanato-2-methylbenzene-2,4-diisocyanato-1-methylbenzene (1:1)|Diisocyanatotoluene; Methylphenylene ester Isocyanic Acid; Methyl-m-phenylene isocyanate; Methylphenylene isocyanate; Toluene Diisocyanate

Molecular Formula	C18H12N4O4
Molecular Weight	348.08585 g/mol
LogP	3.86
Topological Polar Surface Area	117.72 Ų
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	8
Rotatable Bonds	4
Exact Mass	348.08585
Heavy Atoms	26
Complexity	932.0

Chemical Identifiers

CAS Number	26471-62-5
SMILES	CC1=C(C=C(C=C1)N=C=O)N=C=O.CC1=C(C=CC=C1N=C=O)N=C=O