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Merck

243272

Sigma-Aldrich

Allyl isocyanate

98%

Sinónimos:

3-Isocyanatoprop-1-ene

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About This Item

Fórmula lineal:
CH2=CHCH2NCO
Número de CAS:
Peso molecular:
83.09
Beilstein/REAXYS Number:
506106
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22

assay

98%

form

liquid

refractive index

n20/D 1.417 (lit.)

bp

87-89 °C (lit.)

density

0.94 g/mL at 25 °C (lit.)

storage temp.

2-8°C

SMILES string

C=CCN=C=O

InChI

1S/C4H5NO/c1-2-3-5-4-6/h2H,1,3H2

InChI key

HXBPYFMVGFDZFT-UHFFFAOYSA-N

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General description

The rate constants for the gas phase reactions of ozone, OH radical and NO(3) radical with allyl isocyanate (AIC) were studied.

Allyl isocyanate is an organosulfur compound that finds its application in the synthesis, and characterization of biodegradable dextran-allyl isocyanate-ethylamine/polyethylene glycol-diacrylate hydrogels.

Application

Allyl isocyanate is used to prepare:
  • Allyl-pHPMA (allyl-Poly[N-(2-hydroxypropyl) methacrylamide) by reacting with 2° hydroxyl group of pHPMA.
  • Allyl-containing triBCP precursor via bidirectional anionic polymerization of styrene. The precursor used in the synthesis of poly(allyl isocyanate)-block-polystyrene-block-poly(allylisocyanate) (PAIC-b-PSt-b-PAIC).

signalword

Danger

Hazard Classifications

Acute Tox. 3 Dermal - Acute Tox. 3 Inhalation - Acute Tox. 3 Oral - Eye Irrit. 2 - Flam. Liq. 3 - Resp. Sens. 1 - Skin Irrit. 2 - Skin Sens. 1

Storage Class

3 - Flammable liquids

wgk_germany

WGK 3

flash_point_f

109.4 °F - closed cup

flash_point_c

43 °C - closed cup

ppe

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


Certificados de análisis (COA)

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Macromolecules, 51(3), 697-704 (2018)
James K Parker et al.
The journal of physical chemistry. A, 113(36), 9814-9824 (2009-09-04)
Rate constants for the gas-phase reactions of OH radical, NO(3) radical, and ozone with allyl alcohol (AAL) and allyl isocyanate (AIC) have been measured using relative rate methods at atmospheric pressure in purified air. The experimental Arrhenius expression obtained for
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