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Allyl isocyanate

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Name

Allyl isocyanate

EINECS
CAS No. 1476-23-9 Density 0.94
Solubility Melting Point
Formula C4H5 N O Boiling Point 88 °C at 760 mmHg
Molecular Weight 83.10 Flash Point 43 ºC
Transport Information UN 3080 Appearance
Safety A poison. See also ALLYL COMPOUNDS and ESTERS. A flammable liquid. When heated to decomposition it emits toxic fumes of NOx. Risk Codes R10;R23/24/25;R34;R42   
Molecular Structure Molecular Structure of 1476-23-9 (1-Propene,3-isocyanato-) Hazard Symbols
Synonyms

Isocyanicacid, allyl ester (6CI,7CI,8CI); 2-Propenyl isocyanate; Allyl isocyanate; NSC96964; Propene, 3-isocyanato-

 

Allyl isocyanate Chemical Properties


IUPAC Name: 3-isocyanatoprop-1-ene 
Molecular Weight: 83.0886 g/mol
Molecular Formula: C4H5NO 
Density: 0.85 g/cm3
Boiling Point: 88 °C at 760 mmHg 
Flash Point: 43.3 °C
Storage temp.: 2-8 °C
Color: yellow
Sensitive: moisture sensitive
Molar Volume: 97.4 cm3
Polarizability: 9.79*10-24 cm3
Surface Tension: 29.3 dyne/cm  
Enthalpy of Vaporization: 32.82 kJ/mol
Vapour Pressure: 62.3 mmHg at 25 °C
XLogP3-AA: 1.8
H-Bond Acceptor: 2
Rotatable Bond Count: 2
Exact Mass: 83.037114
MonoIsotopic Mass: 83.037114
Topological Polar Surface Area: 29.4
Heavy Atom Count: 6
Complexity: 81.5
InChI: InChI=1S/C4H5NO/c1-2-3-5-4-6/h2H,1,3H2
InChIKey: HXBPYFMVGFDZFT-UHFFFAOYSA-N

Allyl isocyanate Toxicity Data With Reference

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