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630-72-8

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Basic Information
CAS No.: 630-72-8
Name: trinitroacetonitrile
Article Data: 7
Molecular Structure:
Molecular Structure of 630-72-8 (trinitroacetonitrile)
Formula: C2N4O6
Molecular Weight: 176.045
Synonyms: Acetonitrile, trinitro-;Trinitroacetonitril;cyanotrinitromethane;Trinitroacetonitrile [Forbidden];Cyanotrinitromethan;Acetonitrile,trinitro;TRINITROACETONITRILE;
Density: 1.886g/cm3
Melting Point: 41.5°C
Boiling Point: 152.6°Cat760mmHg
Flash Point: 46.1°C
Safety: An explosive sensitive to friction, impact, or rapid heating to 220°C. When heated to decomposition it emits toxic fumes of CN− and NOx. See also NITRILES and NITRO COMPOUNDS.
PSA: 161.25000
LogP: 0.56348
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Chemistry

IUPAC Name: 2,2,2-Trinitroacetonitrile 
Molecular Formula: C2N4O6
Molecular Weight: 176.05
Density: 1.886g/cm3
Melting Point: 41.5°C
Boiling Point: 152.6°C at 760mmHg
Flash Point: 46.1°C
Properties: crystal mass with camphoraceous odor. 
Freely Rotating Bonds: 3
Polar Surface Area: 161.25 Å2
Index of Refraction: 1.539
Molar Refractivity: 29.26 cm3
Molar Volume: 93.3 cm3
Polarizability: 11.6 ×10-24 cm3
Surface Tension: 94.2 dyne/cm
Enthalpy of Vaporization: 38.95 kJ/mol
Vapour Pressure: 3.46 mmHg at 25°C 
The Cas Register Number of Trinitroacetonitrile is 630-72-8.The chemical synonyms of Trinitroacetonitrile (CAS NO.630-72-8) are Trinitroacetonitrile ; Acetonitrile, trinitro- ; CID61180 ; Acetonitrile, 2,2,2-trinitro- .The molecular structure of Trinitroacetonitrile (CAS NO.630-72-8) is.

Uses

  Trinitroacetonitrile (CAS NO.630-72-8) is used as organic intermediate.

Consensus Reports

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

Safety Profile

An explosive sensitive to friction, impact, or rapid heating to 220°C. When heated to decomposition it emits toxic fumes of CN− and NOx. See also NITRILES and NITRO COMPOUNDS.

Standards and Recommendations

DOT Classification:  Forbidden