Hexamethylene diisocyanate
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Hexamethylene diisocyanate
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CAS No:
822-06-0
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Formula:
C8H12N2O2
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Chemical Name:
Hexamethylene diisocyanate
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Synonyms:
Hexane,1,6-diisocyanato-;Isocyanic acid,hexamethylene ester;1,6-Diisocyanatohexane;Hexamethylene diisocyanate;1,6-Hexamethylene diisocyanate;Hexane 1,6-diisocyanate;1,6-Hexylene diisocyanate;HDI;HMDI;NSC 11687;GMDI;1,6-Hexane diisocyanate;HXT;1,6-Diisocyanatohexamethylene;53192-27-1;57350-77-3;63525-90-6;66368-96-5;88357-62-4;133394-59-9;141504-21-4;243121-01-9;280144-19-6;824958-44-3;1196968-38-3;1199811-16-9;1447694-90-7;1674389-30-0;1714093-54-5;1799418-17-9
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CAS No:
Characteristics
58.9
1.08
Clear colorless to slightly yellow Liquid
1.04 g/cm3 @ Temp: 25 °C
-67 °C
127 °C
248 °F
1.483
Solubility in water: reaction
2-8°C
0.05 mm Hg ( 25 °C)
Relative vapour density (air = 1): 5.8
LD50 orally in Rabbit: 746 mg/kg LD50 dermal Rabbit 570 mg/kg
Class IIIB Combustible Liquid: Fl.P. at or above 200°F.
0.9-9.5%(V)
Safety Information
II
6.1
UN 2281 6.1/PG 2
1
23-36/37/38-42/43-41-34-26-22-39/23/24/25-23/24/25-11
26-28-38-45-28A-36/37/39-23-36/37-16-7
MO1740000
T,T+,F
Separated from incompatible materials and food and feedstuffs. See Chemical Dangers. Cool. Dry. Keep in the dark. Ventilation along the floor.
Stable. Moisture sensitive. Combustible. Incompatible with strong oxidizing agents, strong bases, amines, acids. May react explosively with alcohols in the presence of base without a diluting solvent. Heating above 200 C may cause polymerization.
P260-P280-P284-P303 + P361 + P353-P304 + P340 + P310-P305 + P351 + P338
H302-H314-H317-H330-H334
Hexamethylene diisocyanate Use and Manufacturing
1. Hexanediamine reacts with carbon dioxide or hydrochloric acid to generate hexamethylenediamine carbonate or hydrochloride, then undergoes photochemical reaction, then removes the solution by distillation, and obtains HDI by distillation. HDI reacts with water and catalyst to synthesize HDI biuret, then evaporates through a thin film evaporator to remove residual HDI, and adds cellosolve to prepare a solution with a solid content of 75% to obtain HDI biuret as a raw material for high-end paint. Each ton of product consumes about 1280kg of diamine (95%) and 4700kg of phosgene. 2. Using adipic acid by-product adipic acid hydrochloride and phosgene to react in the solvent chlorobenzene to generate hexamethylene-1, 6-diisocyanate, and then through distillation to remove the solvent and vacuum fractionation to obtain the finished product.
Used in the production of aliphatic polyurethane coatings, but also as a dry alkyd resin crosslinking agent and leather finishing agent.
Computed Properties
Molecular Weight:168.19
XLogP3:3.2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:7
Exact Mass:168.089877630
Monoisotopic Mass:168.089877630
Topological Polar Surface Area:58.9
Heavy Atom Count:12
Complexity:169
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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