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414883

Sigma-Aldrich

Hexyl isocyanate

97%

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About This Item

Fórmula lineal:
CH3(CH2)5NCO
Número de CAS:
2525-62-4
Peso molecular:
127.18
Beilstein/REAXYS Number:
1751836
EC Number:
219-763-8
MDL number:
MFCD00037047
UNSPSC Code:
12352100
PubChem Substance ID:
24865962
NACRES:
NA.22

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.)

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

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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_germany

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

Certificados de análisis (COA)

Busque Certificados de análisis (COA) introduciendo el número de lote del producto. Los números de lote se encuentran en la etiqueta del producto después de las palabras «Lot» o «Batch»

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Cyclohexyl isocyanate 98%

Sigma-Aldrich

C105198

Cyclohexyl isocyanate

Fenilo isocianato ≥98%

Sigma-Aldrich

185353

Fenilo isocianato

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
Garret M Miyake et al.
Journal of the American Chemical Society, 134(34), 14249-14254 (2012-08-16)
The synthesis of rigid-rod, helical isocyanate-based macromonomers was achieved through the polymerization of hexyl isocyanate and 4-phenylbutyl isocyanate, initiated by an exo-norbornene functionalized half-titanocene complex. Sequential ruthenium-mediated ring-opening metathesis polymerization of these macromonomers readily afforded well-defined brush block copolymers, with
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)
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