Molecular Identity
Toluene 2,4-Diisocyanate
2,4-diisocyanato-1-methylbenzene
PubChem CID: 11443
Toluene Diisocyanate can cause cancer according to California Labor Code.
2D Structure
Properties
C9H6N2O2
Molecular Formula
174.16
Molecular Weight
g/mol
174.0429
Exact Mass
Da
3.9
XLogP
Drug-like (Lipinski: < 5)
58.9
TPSA
Good oral absorption (< 140 A²)
0
H-Bond Donors
4
H-Bond Acceptors
265
Complexity
SMILES
Canonical SMILES
SMILES: CC1=C(C=C(C=C1)N=C=O)N=C=OIsomeric SMILES
SMILES: CC1=C(C=C(C=C1)N=C=O)N=C=OSynonyms(20)
2,4-Diisocyanato-1-methylbenzene584-84-92,4-Toluene diisocyanateTOLUENE 2,4-DIISOCYANATE2,4-DiisocyanatotolueneTolylene-2,4-diisocyanateToluene-2,4-diisocyanate2,4-Tolylene diisocyanate2,4-TDIHylene tlcBenzene, 2,4-diisocyanato-1-methyl-Di-iso-cyanatolueneToluylene-2,4-diisocyanate2,4-ToluenediisocyanateHylene T
Data from PubChem (NCBI)
This platform is for informational purposes only and does not constitute medical advice. Always consult a qualified healthcare professional.
Drug Network
Trials and conditions connected to Toluene 2,4-Diisocyanate
Loading drug network...