MetaADEDB 2.0 @ LMMD
2,6-diisocyanatotoluene
(RUELTTOHQODFPA-UHFFFAOYSA-N)
Structure
SMILES
O=C=Nc1cccc(c1C)N=C=O
Molecular Formula:
C9H6N2O2
Molecular Weight:
174.156
Log P:
1.9296
Hydrogen Bond Acceptor:
4
Hydrogen Bond Donor:
0
TPSA:
58.86
CAS Number(s):
91-08-7; 9017-01-0
Synonym(s)
1.
2,6-diisocyanatotoluene
2.
2,6-TDI
3.
2,6-diisocyanatotoluene monoformate
4.
2,6-diisocyanatotoluene, conjugate diacid
5.
2,6-toluene diisocyanate
6.
2,6-toluene-diisocyanate
7.
toluene 2,6-diisocyanate
External Link(s)
MeSHC026942
PubChem Compound7040
ChEBI53557
CHEMBLCHEMBL1443390
ZINC2012912
Adverse Drug Event(s)
NameNumber of ReportsReference(s)Data Source
1Hypersensitivity10880147CTD
2Neoplasms, Experimental1670384CTD
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