Product Name: 2,2,2-Trinitroethanol (CAS NO.918-54-7)
Molecular Formula: C2H3N3O7
Molecular Weight: 181.08g/mol
Mol File: 918-54-7.mol
Boiling point: 237.8 °C at 760 mmHg
Flash Point: 108.4 °C
Density: 1.858 g/cm3
Surface Tension: 88.8 dyne/cm
Enthalpy of Vaporization: 55.16 kJ/mol
Vapour Pressure: 0.00783 mmHg at 25°C
XLogP3-AA: -0.7
H-Bond Donor: 1
H-Bond Acceptor: 7
Structure Descriptors of 2,2,2-Trinitroethanol (CAS NO.918-54-7):
IUPAC Name: 2,2,2-trinitroethanol
Canonical SMILES: C(C([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-])O
InChI: InChI=1S/C2H3N3O7/c6-1-2(3(7)8,4(9)10)5(11)12/h6H,1H2
InChIKey: JGAGBYRIJUMEDB-UHFFFAOYSA-N
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
mouse | LD50 | intraperitoneal | 36mg/kg (36mg/kg) | Khimiko-Farmatsevticheskii Zhurnal. Chemical Pharmaceutical Journal. For English translation, see PCJOAU. Vol. 11(1), Pg. 73, 1977. |
Poison by intraperitoneal route. A shock-sensitive explosive. When heated to decomposition it emits toxic fumes of NOx. See also NITRO COMPOUNDS.
DOT Classification: Forbidden
2,2,2-Trinitroethanol , its CAS NO. is 918-54-7, the synonyms are 4-01-00-01389 (Beilstein Handbook Reference) ; BRN 1790157 ; Ethanol, 2,2,2-trinitro- .
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