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1,3,5-Triazine-2,4,6(1H,3H,5H)-trione, 1,3,5-tris[(5-isocyanato-1,3,3-trimethylcyclohexyl)methyl]-

HCID 106924
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Basic informationNames & identifiersPropertiesSafety & regulationRelated reactionsCompound notes
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Basic information

CAS
67873-91-0
Standard SMILES
CC1(C)CC(N=C=O)CC(C)(Cn2c(=O)n(CC3(C)CC(N=C=O)CC(C)(C)C3)c(=O)n(CC3(C)CC(N=C=O)CC(C)(C)C3)c2=O)C1
InChIKey
BPRIYMTXVBEDNJ-UHFFFAOYSA-N
Molecular formula
C36H54N6O6
Average molar mass
666.864 g/mol
Monoisotopic mass
666.41048345

Names & identifiers

Preferred name
1,3,5-Triazine-2,4,6(1H,3H,5H)-trione, 1,3,5-tris[(5-isocyanato-1,3,3-trimethylcyclohexyl)methyl]-
IUPAC
1,3,5-Tris[(5-isocyanato-1,3,3-trimethylcyclohexyl)methyl]-1,3,5-triazinane-2,4,6-trione
English name
3,3',3''-[(1H,3H,5H)-2,4,6-trioxo-1,3,5-triazine-1,3,5-triyltris(methylene)]tris[3,5,5-trimethylcyclohexyl] triisocyanate
Molecular formula
C36H54N6O6
Molecular weight
666.85

Names & synonyms

Einecs 267-445-2IPDIISOCYANURATEN,N',N''-Tris(5-isocyanato-1,3,3-trimethylcyclohexylmethyl)-2,4,6-triketohexahydrotriazine1,3,5-Tris[(5-isocyanato-1,3,3-trimethylcyclohexyl)methyl]-1,3,5-triazine-2,4,6(1H,3H,5H)-trione1,3,5-Triazine-2,4,6(1H,3H,5H)-trione, 1,3,5-tris[(5-isocyanato- 1,3,3-trimethylcyclohexyl)methyl]-2,4,6-Trioxohexahydro-1,3,5-triazine-1,3,5-triyltris[methylene(3,5,5-trimethylcyclohexane-3,1-diyl)]triisocyanate3,3',3''-((1H,3H,5H)-2,4,6-Trioxo-1,3,5-triazine-1,3,5-triyltris(methylene))tris(3,5,5-trimethylcyclohexyl) triisocyanate3,3',3''-[(1H,3H,5H)-2,4,6-trioxo-1,3,5-triazine-1,3,5-triyltris(methylene)]tris[3,5,5-trimethylcyclohexyl] triisocyanate

Database identifiers

CAS
67873-91-0
PubChem CID
106924
DTXSID
DTXSID70867369
UNII
1KJF175YD7
EC Number
267-445-2
Nikkaji
J287.555A

Properties

Physicochemical properties

Boiling point
692 · 692.0±20.0 °C(Predicted)
Density
1.2 · 1.20±0.1 g/cm3(Predicted)
pka
-2.2 · -2.20±0.20(Predicted)
FDA UNII
1 KJF175YD7 · 1KJF175YD7
EPA Substance Registry System
1 · 1,3,5-Triazine-2,4,6(1H,3H,5H)-trione, 1,3,5-tris[(5-isocyanato-1,3,3-trimethylcyclohexyl)methyl]- (67873-91-0)
TSCA
TSCA listed

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

Safety data

tsca
TSCA listed

Related reactions

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Compound notes

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On this pageBasic informationNames & identifiersPropertiesSafety & regulationRelated reactionsCompound notes