ChemicalBook--->CAS DataBase List--->3779-63-3

3779-63-3

3779-63-3 Structure

3779-63-3 Structure
IdentificationBack Directory
[Name]

(2,4,6-trioxotriazine-1,3,5(2H,4H,6H)-triyl)tris(hexamethylene) isocyanate
[CAS]

3779-63-3
[Synonyms]

Tolonate HDT
HDIISOCYANURATE
Coronate HXSee also
TRISHEXAMETHYLENE TRIISOCYANATE)
HEXAMETHYLENEDIISOCYANATEISOCYANURATE
1,6-HEXAMETHYLENEDIISOCYANATEISOCYANURATE
Hexamethylene Diisocyanate Isocyanurate Trimer
1,3,5-tris(6-isocyanatohexyl)-1,3,5-triazin-2,4,6-trione
1,3,5-Tris(6-isocyanatohexyl)-1,3,5-triazine-2,4,6-trione
1,3,5-Tris(6-isocyanatohexyl)-1,3,5-triazinane-2,4,6-trione
1,3,5-Tris(6-isocyanatohexyl)-1,3,5-triazine-2,4,6(1H,3H,5H)-trione
1,3,5-Triazine-2,4,6(1H,3H,5H)-trione, 1,3,5-tris(6-isocyanatohexyl)-
1,3,5-Tris[6-(isocyanato)hexyl]-1,3,5-triazine-2,4,6(1H,3H,5H)-trione
2,4,6-Trioxo-1,3,5-triazine-1,3,5-triyltris(6,1-hexanediyl)triisocyanate
(2,4,6-trioxotriazine-1,3,5(2H,4H,6H)-triyl)tris(hexamethylene) isocyanate
[(1,2,3,4,5,6-Hexahydro-2,4,6-trioxo-1,3,5-triazine-1,3,5-triyl)trishexamethylene]triisocyanate
[EINECS(EC#)]

223-242-0
[Molecular Formula]

C24H36N6O6
[MDL Number]

MFCD00129789
[MOL File]

3779-63-3.mol
[Molecular Weight]

504.58
Chemical PropertiesBack Directory
[Melting point ]

>300 °C
[Boiling point ]

648.2±50.0 °C(Predicted)
[density ]

1.20±0.1 g/cm3(Predicted)
[vapor pressure ]

0.001Pa at 20℃
[pka]

-2.17±0.20(Predicted)
[InChI]

InChI=1S/C24H36N6O6/c31-19-25-13-7-1-4-10-16-28-22(34)29(17-11-5-2-8-14-26-20-32)24(36)30(23(28)35)18-12-6-3-9-15-27-21-33/h1-18H2
[InChIKey]

KCZQSKKNAGZQSZ-UHFFFAOYSA-N
[SMILES]

N1(CCCCCCN=C=O)C(=O)N(CCCCCCN=C=O)C(=O)N(CCCCCCN=C=O)C1=O
[LogP]

9.81 at 20℃
[EPA Substance Registry System]

1,3,5-Triazine-2,4,6(1H,3H,5H)-trione, 1,3,5-tris(6-isocyanatohexyl)- (3779-63-3)
Safety DataBack Directory
[Symbol(GHS) ]

GHS hazard pictograms
GHS07
[Signal word ]

Warning
[Hazard statements ]

H332-H335-H317
[Precautionary statements ]

P261-P272-P280-P302+P352-P333+P313-P321-P363-P501-P261-P271-P304+P340-P312
[TSCA ]

TSCA listed
Hazard InformationBack Directory
[Uses]

Hexamethylene Diisocyanate Isocyanurate Trimer is used as a building block for non-volatile polycondensation products, such as HDI-isocyanurate (HDI-IC) and HDI-biuret (HDI-BT).
[Definition]

ChEBI: A derivative of isocyanuric acid having a 6-isocyanatohexyl group at each of the 1-, 3- and 5-positions.
[Toxics Screening Level]

The ITSL for aliphatic polyisocyanate-1 has been changed from 0.04 μg/m3 to 0.1 μg/m3 based on an annual averaging time.
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