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Merck
CN

427373

1,8-Diisocyanatooctane

98%

Synonym(s):

Octamethylene diisocyanate

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About This Item

Linear Formula:
OCN(CH2)8NCO
CAS Number:
10124-86-4
Molecular Weight:
196.25
UNSPSC Code:
12162002
NACRES:
NA.23
PubChem Substance ID:
24866754
MDL number:
MFCD00216582
Beilstein/REAXYS Number:
1772257

Key Documents

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InChI

1S/C10H16N2O2/c13-9-11-7-5-3-1-2-4-6-8-12-10-14/h1-8H2

SMILES string

O=C=NCCCCCCCCN=C=O

InChI key

QUPKOUOXSNGVLB-UHFFFAOYSA-N

assay

98%

form

liquid

refractive index

n20/D 1.455 (lit.)

bp

156 °C/15 mmHg (lit.)

density

1.007 g/mL at 25 °C (lit.)

storage temp.

2-8°C

pictograms

Health hazardExclamation mark
GHS08,GHS07

signalword

Danger

Hazard Classifications

Acute Tox. 4 Dermal - Acute Tox. 4 Inhalation - Acute Tox. 4 Oral - Eye Irrit. 2 - Resp. Sens. 1 - Skin Irrit. 2 - Skin Sens. 1 - STOT SE 3

target_organs

Respiratory system

Storage Class

6.1A - Combustible acute toxic Cat. 1 and 2 / very toxic hazardous materials

wgk

WGK 3

flash_point_f

228.2 °F - closed cup

flash_point_c

109 °C - closed cup

ppe

Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter

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Certificates of Analysis (COA)

Lot/Batch Number
MKCH0990
MKCC8782
MKBV3442V
MKBP7600V
SHBB3720V

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Vladimir Burmistrov et al.
Bioorganic & medicinal chemistry letters, 24(9), 2193-2197 (2014-04-02)
A series of inhibitors of the soluble epoxide hydrolase (sEH) containing two urea groups has been developed. Inhibition potency of the described compounds ranges from 2.0 μM to 0.4 nM. 1,6-(Hexamethylene)bis[(adamant-1-yl)urea] (3b) was found to be a potent slow tight

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