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Merck
CN

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

Key Documents

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Product Name

Hexyl isocyanate, 97%

assay

97%

form

liquid

InChI key

ANJPRQPHZGHVQB-UHFFFAOYSA-N

InChI

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

SMILES string

CCCCCCN=C=O

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

Quality Level

100

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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

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.

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

Regulatory Information

危险化学品
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Certificates of Analysis (COA)

Lot/Batch Number
MKCZ4482
MKCX4325
MKCX1328
MKCX1334
MKCV5758

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Synthesis and Self-Assembly Studies of Amphiphilic Poly (n-hexyl isocyanate)-b lock-poly (2-vinylpyridine)-b lock-poly (n-hexyl isocyanate) Rod-Coil-Rod Triblock Copolymer.
Rahman M, et al.
Macromolecules, 39(15), 5009-5014 (2006)
Pulmonary hypersensitivity to hexyl isocyanate-ovalbumin aerosol in guinea pigs.
M H Karol et al.
Toxicology and applied pharmacology, 51(1), 73-80 (1979-10-01)
Boer Liu et al.
Molecules (Basel, Switzerland), 26(15) (2021-08-08)
This work reveals the influence of pendant hydrogen bonding strength and distribution on self-assembly and the resulting thermomechanical properties of A-AB-A triblock copolymers. Reversible addition-fragmentation chain transfer polymerization afforded a library of A-AB-A acrylic triblock copolymers, wherein the A unit
Chiroptical Properties of Graft Copolymers Containing Chiral Poly (n-hexyl isocyanate) as a Side Chain.
Shah PN, et al.
Macromolecules, 44(20), 7917-7925 (2011)
Maresa Sonnabend et al.
Polymers, 13(12) (2021-07-03)
Due to reasons of sustainability and conservation of resources, polyurethane (PU)-based systems with preferably neutral carbon footprints are in increased focus of research and development. The proper design and development of bio-based polyols are of particular interest since such polyols
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