918-54-7

Basic information

• Product Name: 2,2,2-Trinitroethanol
• Synonyms: 2,2,2-Trinitroethanol
• CAS NO: 918-54-7
• Molecular Formula: C₂H₃N₃O₇
• Molecular Weight: 181.08
• Mol File: 918-54-7.mol
• Article Data: 4

Chemical Properties

• Melting Point: 72°C
• Boiling Point: 314.13°C (rough estimate)
• Flash Point: 108.4°C
• Appearance: /
• Density: 1.858g/cm³
• Vapor Pressure: 0.00783mmHg at 25°C
• Refractive Index: 1.4264 (estimate)
• PKA: pK1:2.36 (25°C)
• CAS DataBase Reference: 2,2,2-Trinitroethanol(CAS DataBase Reference)
• NIST Chemistry Reference: 2,2,2-Trinitroethanol(918-54-7)
• EPA Substance Registry System: 2,2,2-Trinitroethanol(918-54-7)

Safety Data

• Hazardous Substances Data: 918-54-7(Hazardous Substances Data)

Usage

Safety Profile

Poison by intraperitoneal route. A shock-sensitive explosive. When heated to decomposition it emits toxic fumes of NOx. See also NITRO COMPOUNDS.

InChI:InChI=1/C2H3N3O7/c6-1-2(3(7)8,4(9)10)5(11)12/h6H,1H2

Upstream product

• 50-00-0 formaldehyd 
• 14268-23-6 potassium trinitromethanide 
• 517-25-9 trinitromethane 
• 590-97-6 acetoxymethyl bromide 
• 542-88-1 bis(2-chloromethyl)ether 
• 509-14-8 tetranitromethane 
• 630-70-6 trinitroiodomethane 
• 560-95-2 bromotrinitromethane 

Downstream Products

• 6263-74-7 1,1,1,7,7,7-hexanitro-3,5-dioxaheptane 
• 918-99-0 N,N-bis(2,2,2-trinitroethyl)urea 
• 860-83-3 2,2,2-trinitroethyl 2,4,6-trinitrobenzoate 
• 34880-53-0 1,1,1,5,5,5-hexanitro-3-azapentane 
• 14548-59-5 tris(2,2,2-trinitroethyl)orthoformate 
• 14548-58-4 tetrakis(2,2,2-trinitroethyl) orthocarbonate 
• 19836-28-3 nitro-bis-(2,2,2-trinitro-ethyl)-amine 
• 80308-88-9 C₆H₈N₈O₁₆ 
• 71674-15-2 S-ethyl 2,2,2-trinitroethyl thiolcarbonate 
• 26332-91-2 2,2,2-Trinitroethyltosylat 
• 30893-52-8 2-fluoro-2,2-dinitroethyl 2',2',2'-trinitroethyl formal 
• 89639-55-4 Methylendicarbamidsaeure-bis-(2,2,2-trinitro-aethylester) 
• 35027-58-8 adipic acid bis-(2,2,2-trinitro-ethyl ester) 
• 6093-30-7 phthalic acid bis-(2,2,2-trinitro-ethyl ester) 

Relevant articles and documents

Synthesis of Nitro, Dinitro, and Polynitroalkylamino Derivatives of Trifurazanoxide

The synthesis and characterization of 3-chlorocarbohydroxymoyl-4-nitro-1,2,5-oxadiazole and its transformation to dinitro trifurazanoxide were described for the first time. Synthesis of new amino nitro and trinitroethylamino trifurazanoxide has been presented.

Taming of tetranitroethane: A promising precursor for high performance energetic ingredients

The stabilization of nitrogen-rich or oxygen-rich energetic molecules is an ongoing challenging study in the field of energetic materials. Now we describe the stabilization of tetranitroethane by various transformations to metal complexes, nitrogen rich salts, and ionic complexes with ammonium oxide. These newly prepared energetic compounds are characterized by IR and NMR spectroscopy, elemental analysis, and differential scanning calorimetry (DSC). Single-crystal X-ray diffraction analysis was used to obtain further structural confirmation of 10, 11, 12, and 14. The safety parameters associated with impact and friction sensitivities were investigated using BAM (Bundesanstalt für Materialforschung und-prüfung) methods. In addition, detonation performances, e.g., detonation velocity, detonation pressure, and specific impulse, were calculated using the Explo5 program (version 6.01), which gives rise to a significant assessment of the application potential of tetranitroethane derivatives as high performance energetic ingredients.

Henry and Mannich reactions of polynitroalkanes in ionic liquids

Based on Henry and Mannich reactions of polynitroalkanes for the first time implemented in ionic liquids, ecologically pure and safe methods for the synthesis of polynitro alcohols and N-2,2,2-trinitroethyl derivatives of low basic amino compounds (urea, acetamide, 4-amino-3-methylfuroxan) have been elaborated.