Tris(4-isocyanatophenyl) thiophosphate Structure

Tris(4-isocyanatophenyl) thiophosphate

Chemical Properties

Melting point 84-86 °C
Boiling point 561.9±60.0 °C(Predicted)
Density  1.37±0.1 g/cm3(Predicted)
vapor pressure  0Pa at 20℃
Flash point -4°C (25°F)
Specific Gravity 1.0
Water Solubility  150μg/L at 20℃
Hydrolytic Sensitivity 4: no reaction with water under neutral conditions
InChI InChI=1S/C21H12N3O6PS/c25-13-22-16-1-7-19(8-2-16)28-31(32,29-20-9-3-17(4-10-20)23-14-26)30-21-11-5-18(6-12-21)24-15-27/h1-12H
InChIKey KGLSETWPYVUTQX-UHFFFAOYSA-N
SMILES P(=S)(OC1C=CC(N=C=O)=CC=1)(OC1=CC=C(N=C=O)C=C1)OC1=CC=C(N=C=O)C=C1
LogP 8.266 at 20℃
CAS DataBase Reference 4151-51-3(CAS DataBase Reference)
FDA UNII 0G637UP5EY
EPA Substance Registry System Phenol, 4-isocyanato-, phosphorothioate (3:1) (ester) (4151-51-3)

Safety

Symbol(GHS) Exclamation Mark (GHS07)
Signal wordWarning
Hazard statements H302
Precautionary statements P264-P270-P301+P312-P330-P501
RIDADR  2206
TSCA  TSCA listed
HazardClass  6.1(b)
PackingGroup  III

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