3779-63-3

Name (2,4,6-trioxotriazine-1,3,5(2H,4H,6H)-triyl)tris(hexamethylene) isocyanate
CAS 3779-63-3
EINECS(EC#) 223-242-0
Molecular Formula C24H36N6O6
MDL Number MFCD00129789
Molecular Weight 504.58
MOL File 3779-63-3.mol
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Chemical Properties

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 Data

Symbol(GHS)  Exclamation Mark (GHS07)
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
REACH Registrations Active

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