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D2026

Hexamethylene diisocyanate

Name: Hexamethylene diisocyanate
Brand: SIGMA

Synonym(s):

1,6-Diisocyanatohexane

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About This Item

Linear Formula:

OCN(CH₂)₆NCO

CAS Number:

822-06-0

Molecular Weight:

168.19

EC Number:

212-485-8

UNSPSC Code:

12352103

MDL number:

MFCD00002047

Beilstein/REAXYS Number:

956709

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Properties

bp

82-85 °C/0.1 mmHg

density

1.047 g/mL at 20 °C (lit.)

storage temp.

2-8°C

SMILES string

O=C=NCCCCCCN=C=O

InChI

1S/C8H12N2O2/c11-7-9-5-3-1-2-4-6-10-8-12/h1-6H2

InChI key

RRAMGCGOFNQTLD-UHFFFAOYSA-N

Description

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Analysis of the interrelationship of the pulmonary irritation and elicitation thresholds in rats sensitized with 1,6-hexamethylene diisocyanate (HDI).

Jürgen Pauluhn

Inhalation toxicology, 27(4), 191-206 (2015-04-30)

This paper summarizes a range of experimental data central for developing a science-based approach for hazard identification of monomeric and polymeric aliphatic 1,6-hexamethylene diisocyanate (HDI). The dose-response curve of HDI-induced pulmonary responses in naïve or dermally sensitized rats after one