Molecular Structure of Hexanitroethane (CAS NO. 918-37-6):
EINECS: 213-042-1
IUPAC Name: 1,1,1,2,2,2-Hexanitroethane
Molecular Formula: C2N6O12
Molecular Weight: 300.054400 g/mol
XLogP3-AA: -0.2
H-Bond Donor: 0
H-Bond Acceptor: 12
Canonical SMILES: C(C([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-])([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-]
InChI: InChI=1S/C2N6O12/c9-3(10)1(4(11)12,5(13)14)2(6(15)16,7(17)18)8(19)20
InChIKey: CCAKQXWHJIKAST-UHFFFAOYSA-N
Index of Refraction: 1.6
Molar Refractivity: 47.38 cm3
Molar Volume: 138.3 cm3
Surface Tension: 115.2 dyne/cm
Density: 2.169 g/cm3
Enthalpy of Vaporization: 25.72 kJ/mol
Boiling Point: 9.1 °C at 760 mmHg
Vapour Pressure: 1370 mmHg at 25 °C
Water Solubility of Hexanitroethane (CAS NO. 918-37-6): 1e+006 mg/L at 25 °C
Reported in EPA TSCA Inventory.
A powerful oxidant which explodes above 140°C. Explosive reaction with boron. Hypergolic reaction with dimethyl hydrazine or other strong organic bases. Forms powerfully explosive mixtures with nitrogen containing organic compounds (e.g., 2-nitroaniline). Upon decomposition it emits toxic fumes of NOx. See also NITRO COMPOUNDS.
DOT Classification: Forbidden
Hexanitroethane with cas registry number of 918-37-6 is an organic compound, known as Ethane, 1,1,1,2,2,2-hexanitro- ; Ethane, hexanitro- ; Hexanitroethane [Forbidden] . Hexanitroethane is used in some pyrotechnic compositions as a nitrogen-rich oxidizer. It is investigated as a gas source for explosively pumped gas dynamic laser.
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