Hexanitroethane

Base Information

• Chemical Name: Hexanitroethane
• CAS No.: 918-37-6
• Molecular Formula: C2N6 O12
• Molecular Weight: 300.055
• European Community (EC) Number: 213-042-1
• DSSTox Substance ID: DTXSID2061278
• Nikkaji Number: J78.111H
• Wikipedia: Hexanitroethane
• Wikidata: Q411442
• Mol file: 918-37-6.mol

Synonyms:Hexanitroethane;918-37-6;ETHANE, HEXANITRO-;EINECS 213-042-1;Ethane, 1,1,1,2,2,2-hexanitro-;1,1,1,2,2,2-hexanitroethane;Hexanitroethane [Forbidden];SCHEMBL3130574;DTXSID2061278;C2N6O12;C2-N6-O12;Q411442

Chemical Property of Hexanitroethane

Chemical Property:

• Vapor Pressure: 1370mmHg at 25°C
• Melting Point: 150°C
• Refractive Index: 1.6300 (estimate)
• Boiling Point: 9.1°Cat760mmHg
• Flash Point: °C
• PSA: 274.92000
• Density: 2.169g/cm³
• LogP: 1.09340
• XLogP3: -0.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 1
• Exact Mass: 299.95741946
• Heavy Atom Count: 20
• Complexity: 381

Purity/Quality:

98%Min ^*data from raw suppliers

HEXANITROETHANE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(C([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-])([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-]

Technology Process of Hexanitroethane

There total 12 articles about Hexanitroethane which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 80.0%

1,1,1-trinitro-5,5-dimethyl-4-hexanone (162781-37-5) → hexanitroethane (918-37-6)

Guidance literature:

With sulfuric acid; nitric acid;

Reference yield: 78.0%

1,1,1-trinitro-4-(3-nitrophenyl)butanone → hexanitroethane (918-37-6)

Guidance literature:

With sulfuric acid; nitric acid; at 0 ℃; for 72h;

Reference yield: 75.0%

1,1,1-trinitro-4-pentanone (5029-48-1) → hexanitroethane (918-37-6)

Guidance literature:

With sulfuric acid; nitric acid; at 0 ℃;

upstream raw materials:

1,1,1-trinitro-4-pentanone

1,1,1-trinitro-3-methyl-4-pentanone

1,1,1-trinitro-5,5-dimethyl-4-hexanone

7,7,7-trinitro-4-oxoheptanoic acid

Downstream raw materials:

4-methyl-2-nitrophenol

2,6-dinitro-p-cresol

N-methyl-N-nitrosoaniline

4-(2-nitro-propenyl)-anisole

Refernces

• 1、 Tselinskii, I. V.,Shokhor, I. N.,Bagal, L. I.. "DESTRUCTIVE NITRATION OF ALIPHATIC γ,γ-DINITRO KETONES AND ALDEHYDES. SYNTHESIS OF HALOGENOPENTANITROETHANES AND 1,1,1,2,2-PENTANITROPROPANE". . p. 1039 - 1041. Retrieved 2007/10/02.