243272

Allyl isocyanate

98%

• Synonym(s): 3-Isocyanatoprop-1-ene
• Linear Formula: CH₂=CHCH₂NCO
• CAS Number: 1476-23-9
• Molecular Weight: 83.09
• Beilstein: 506106
• MDL number: MFCD00002044
• UNSPSC Code: 12352100
• PubChem Substance ID: 24854606
• NACRES: NA.22

Properties

• 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.)
• functional group: amine; isocyanate
• 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

Description

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).

Safety Information

• Pictograms: GHS02,GHS06,GHS08
• Signal Word: Danger
• Hazard Statements: H226,H301 + H311 + H331,H315,H317,H319,H334
• Precautionary Statements: P210 - P280 - P301 + P310 - P303 + P361 + P353 - P304 + P340 + P311 - P305 + P351 + P338
• 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 Code: 3 - Flammable liquids
• WGK: WGK 3
• Flash Point(F): 109.4 °F - closed cup
• Flash Point(C): 43 °C - closed cup
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves