ChemicalBook--->CAS DataBase List--->1476-23-9

1476-23-9

1476-23-9 Structure

1476-23-9 Structure
IdentificationMore
[Name]

ALLYL ISOCYANATE
[CAS]

1476-23-9
[Synonyms]

ALLYL ISOCYANATE
1-propene,3-isocyanato-
3-isocyanato-1-propen
3-isocyanato-1-Propene
isocyanated’allyle
isocyanicacid,allylester
isocyanate isocyanate d'allyle
3-isocyanatoprop-1-ene
2-Propenyl isocyanate
[EINECS(EC#)]

629-197-7
[Molecular Formula]

C4H5NO
[MDL Number]

MFCD00002044
[Molecular Weight]

83.09
[MOL File]

1476-23-9.mol
Chemical PropertiesBack Directory
[Boiling point ]

87-89 °C(lit.)
[density ]

0.94 g/mL at 25 °C(lit.)
[refractive index ]

n20/D 1.417(lit.)
[Fp ]

110 °F
[storage temp. ]

2-8°C
[form ]

liquid
[color ]

yellow
[Specific Gravity]

0.94
[Water Solubility ]

Hydrolyzes in water.
[Sensitive ]

Moisture Sensitive
[BRN ]

506106
[InChI]

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

HXBPYFMVGFDZFT-UHFFFAOYSA-N
[SMILES]

C=CCN=C=O
[CAS DataBase Reference]

1476-23-9(CAS DataBase Reference)
[EPA Substance Registry System]

1-Propene, 3-isocyanato- (1476-23-9)
Safety DataBack Directory
[Hazard Codes ]

Xn,T
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
R42:May cause sensitization by inhalation.
R34:Causes burns.
R23/24/25:Toxic by inhalation, in contact with skin and if swallowed .
R10:Flammable.
[Safety Statements ]

S23:Do not breathe gas/fumes/vapor/spray (appropriate wording to be specified by the manufacturer) .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .
[RIDADR ]

UN 3080 6.1/PG 2
[WGK Germany ]

3
[RTECS ]

NQ8175000
[F ]

9-21-19
[TSCA ]

y
[HazardClass ]

3
[PackingGroup ]

III
[HS Code ]

29291090
[Storage Class]

3 - Flammable liquids
[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
[Safety Profile]

A poison. See also ALLYL COMPOUNDS and ESTERS. A flammable liquid. When heated to decomposition it emits toxic fumes of NOx,.
[Toxicity]

mouse,LD50,intravenous,18mg/kg (18mg/kg),U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#03769,
Hazard InformationBack Directory
[Chemical Properties]

Colorless liquid, turns yellow on standing. Combustible.
[Uses]

It finds its application in the synthesis, characterization of biodegradable dextran-allyl isocyanate-ethylamine/polyethylene glycol-diacrylate hydrogels and their in vitro release of albumin.
[Uses]

Organic intermediate, cross-linking agent, polymer modifier.
[Definition]

ChEBI: Allyl isocyanate is a member of isocyanates.
[General Description]

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

Moderate fire risk. Toxic.
[Purification Methods]

Purify it as for allylisothiocyanate below and it is TOXIC.[Beilstein 4 IV 1081.]
Spectrum DetailBack Directory
[Spectrum Detail]

ALLYL ISOCYANATE(1476-23-9)1HNMR
ALLYL ISOCYANATE(1476-23-9)FT-IR
ALLYL ISOCYANATE(1476-23-9)IR
ALLYL ISOCYANATE(1476-23-9)Raman
Well-known Reagent Company Product InformationBack Directory
[Alfa Aesar]

Allyl isocyanate, 98%(1476-23-9)
[Sigma Aldrich]

1476-23-9(sigmaaldrich)
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