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414883

Hexyl isocyanate

97%

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About This Item

Linear Formula:
CH3(CH2)5NCO
CAS Number:
2525-62-4
Molecular Weight:
127.18
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
24865962
EC Number:
219-763-8
Beilstein/REAXYS Number:
1751836
MDL number:
MFCD00037047
Assay:
97%
Form:
liquid
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Quality Segment

100

assay

97%

form

liquid

refractive index

n20/D 1.421 (lit.)

bp

162-164 °C (lit.)

density

0.873 g/mL at 25 °C (lit.)

functional group

amine, isocyanate

SMILES string

CCCCCCN=C=O

InChI

1S/C7H13NO/c1-2-3-4-5-6-8-7-9/h2-6H2,1H3

InChI key

ANJPRQPHZGHVQB-UHFFFAOYSA-N

General description

Hexyl isocyanate has been investigated for its antigenicity in the guinea pig animal model of hapten-specific respiratory hypersensitivity. Polymerization of n-hexyl isocyanate using rare earth tris(2,6-di-tert-butyl-4-methylphenolate) [Ln(OAr)3] as initiator has been studied.

Application

Hexyl isocyanate may be employed for the synthesis of following:
  • rigid-rod, helical isocyanate-based macromonomers
  • rod-coil-rod triblock copolymers with 2-vinylpyridine, by living anionic polymerization
  • chiral poly(n-hexyl isocyanate) (PHIC) macromonomers, by living anionic polymerization

signalword

Danger

Hazard Classifications

Acute Tox. 4 Dermal - Acute Tox. 4 Inhalation - Acute Tox. 4 Oral - Flam. Liq. 3 - Resp. Sens. 1 - Skin Sens. 1

Storage Class

3 - Flammable liquids

wgk

WGK 3

flash_point_f

138.2 °F - closed cup

flash_point_c

59 °C - closed cup

ppe

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

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