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2003-31-8

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Basic Information
CAS No.: 2003-31-8
Name: chlorocyanoacetylene
Molecular Structure:
Molecular Structure of 2003-31-8 (chlorocyanoacetylene)
Formula: C3Cl N
Molecular Weight: 85.4927
Synonyms: Propiolonitrile,chloro- (7CI,8CI); Chlorocyanoacetylene; Chloropropiolonitrile;Chloropropynenitrile
Density: 1.292g/cm3
Melting Point: 42.25°C
Boiling Point: 98.3°Cat760mmHg
Flash Point: 22.6°C
Safety: Ignites spontaneously in air. A dangerous storage hazard, it may explode in a sealed container. When heated to decomposition it emits toxic fumes of Cl−, NOx, and CN−. See also ACETYLENE COMPOUNDS and ALKYNES, CYANIDE, NITRILES, and CHLORINATED HYDROCARBONS, ALIPHATIC.
PSA: 23.79000
LogP: 0.70968
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Chemistry

IUPAC Name: 3-chloroprop-2-ynenitrile 
Empirical Formula: C3ClN
Molecular Weight: 85.4918g/mol
SMILES: ClC#CC#N
InChI: InChI=1/C3ClN/c4-2-1-3-5
InChIKey: XJKVOBGMBLGZQB-UHFFFAOYAJ 
Index of Refraction: 1.477
Molar Refractivity: 18.71 cm3
Molar Volume: 66.1 cm3
Polarizability: 7.41×10-24cm3
Surface Tension: 50.6 dyne/cm
Density: 1.292 g/cm3
Flash Point: 22.6 °C
Enthalpy of Vaporization: 33.77 kJ/mol
Boiling Point: 98.3 °C at 760 mmHg
Vapour Pressure: 40.2 mmHg at 25°C 
Structure of Chlorocyanoacetylene (CAS NO.2003-31-8):

 

Consensus Reports

Cyanide and its compounds are on the Community Right-To-Know List.

Safety Profile

Ignites spontaneously in air. A dangerous storage hazard, it may explode in a sealed container. When heated to decomposition it emits toxic fumes of Cl−, NOx, and CN−. See also ACETYLENE COMPOUNDS and ALKYNES, CYANIDE, NITRILES, and CHLORINATED HYDROCARBONS, ALIPHATIC.

Specification

  Chlorocyanoacetylene , its cas register number is 2003-31-8. It also can be called 3-Chloroprop-2-ynenitrile .When heated to decomposition it emits toxic fumes of Cl−, NOx, and CN−. Chlorocyanoacetylene (CAS NO.2003-31-8) will ignite spontaneously in air and it may explode in a sealed container.