The 1,6-Diisocyanatohexane , with cas registry number of 822-06-0, has other registry numbers including (1) 133394-59-9 ; (2) 243121-01-9 ; (3) 280144-19-6 ; (4) 53192-27-1 ; (5) 57350-77-3 ect. It belongs to the classification codes of Agricultural Chemical; Air Pollutants; Air Pollutants, occupational; Cross-Linking Reagents; Environmental Pollutants; Indicators and Reagents. Its systematic name and IUPAC name are the same which is called 1,6-diisocyanatohexane . This chemical has its several superlist names which are (1) HDI ; (2) Hexamethylene diisocyanate ; (3) Hexamethylene diisocyanate [UN2281] [Poison] ; (4) Hexamethylene diisocyanate, 1,6- ; (5) Hexamethylene-1,6-diisocyanate ; . It is a colorless crystalline solid.

Physical properties about 1,6-Diisocyanatohexane are:
(1)ACD/LogP:  3.447; (2)# of Rule of 5 Violations:  0; (3)ACD/LogD (pH 5.5):  3.45; (4)ACD/LogD (pH 7.4):  3.45; (5)ACD/BCF (pH 5.5):  245.36; (6)ACD/BCF (pH 7.4):  245.36; (7)ACD/KOC (pH 5.5):  1787.40; (8)ACD/KOC (pH 7.4):  1787.40; (9)#H bond acceptors:  4; (10)#H bond donors:  0; (11)#Freely Rotating Bonds:  7; (12)Index of Refraction:  1.483; (13)Molar Refractivity:  47.225 cm3; (14)Molar Volume:  165.276 cm3; (15)Polarizability:  18.721 10-24cm3 ; (16)Surface Tension:  39.398998260498 dyne/cm; (17)Density:  1.018 g/cm3 ; (18)Flash Point:  140 °C; (19)Enthalpy of Vaporization:  49.245 kJ/mol; (20)Boiling Point:  254.999 °C at 760 mmHg; (21)Vapour Pressure:  0.017000000923872 mmHg at 25°C.

Preparation of  1,6-Diisocyanatohexane :
 this chemical can be prepared by octanedioic acid .

This reaction needs reagent 1,8-bis (dimethylamino) naphthalene , solvent tetrahydrofuran and other condition like heating. The reaction time is 6 hours with yield of 76.1%.

Uses of  1,6-Diisocyanatohexane :
It mainly used to prepare other chemicals. Here is a example, it can react with 2-hydrazino-ethanol to give hexamethylenedi[2-(b-hydroxyethyl)-4-semicarbazide] .

This reaction is a kind of addition reaction. It occurs in solvent propan-2-ol at temperature of 10 ℃. The yield is about 89%.

Safety information of 1,6-Diisocyanatohexane :
When you are using this chemical, please be cautious about it as the following:Poison by inhalation and intravenous routes. Moderately toxic by ingestion and skin contact. Potentially explosive reaction with alcohols and base. When heated to decomposition it emits toxic fumes of NO_x.

You can still convert the following datas into molecular structure:
(1)SMILES:O=C=N\CCCCCC/N=C=O;
(2)InChI:InChI=1/C8H12N2O2/c11-7-9-5-3-1-2-4-6-10-8-12/h1-6H2;
(3)InChIKey:RRAMGCGOFNQTLD-UHFFFAOYAI

The toxicity data of 1,6-Diisocyanatohexane is as follows: