1,2-Dinitroethane

Base Information

• Chemical Name: 1,2-Dinitroethane
• CAS No.: 7570-26-5
• Molecular Formula: C2H4N2O4
• Molecular Weight: 120.065
• DSSTox Substance ID: DTXSID50226612
• Nikkaji Number: J78.107J
• Wikidata: Q83106090
• Mol file: 7570-26-5.mol

Synonyms:1,2-DINITROETHANE;Ethane, 1,2-dinitro-;1,2-Dinitroethane [Forbidden];7570-26-5;1,2-dinitro-ethane;SCHEMBL66347;DTXSID50226612

Chemical Property of 1,2-Dinitroethane

Chemical Property:

• Vapor Pressure: 0.912mmHg at 25°C
• Melting Point: 39.5°C
• Refractive Index: 1.4468
• Boiling Point: 180.1°Cat760mmHg
• Flash Point: 79.4°C
• PSA: 91.64000
• Density: 1.378g/cm³
• LogP: 0.58620
• XLogP3: -0.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 120.01710661
• Heavy Atom Count: 8
• Complexity: 85.6

Purity/Quality:

99%, ^*data from raw suppliers

1,2-DINITROETHANE 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-]

Technology Process of 1,2-Dinitroethane

There total 9 articles about 1,2-Dinitroethane 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: 89.0%

nitromethane (75-52-5) → 1,2-dinitroethane (7570-26-5)

Guidance literature:

With sodium hydroxide; In water; at 45 - 50 ℃; for 0.25h;

DOI:10.1002/jhet.5570320349

Reference yield:

nitromethane (75-52-5) + DL-methionine (59-51-8,26062-47-5,58576-49-1) → Nitromethane (75-52-5) + Methylsulfanyl-nitro-methane (88096-62-2) + 1,2-Dinitro-ethane (7570-26-5)

Guidance literature:

With titanium; dihydrogen peroxide; Irradiation; pH: 9.5;

DOI:10.1039/P29830000731

Reference yield:

ethene (74-85-1) → 1,2-dinitroethane (7570-26-5)

Guidance literature:

With 1,4-dioxane; oxygen; dinitrogen tetraoxide; at 0 ℃;

upstream raw materials:

ethene

1,2-Diiodoethane

nitromethane

diethyl ether

Downstream raw materials:

1-nitroethylene

ethylenediamine

caprolactam

hydroxylamine

Refernces

• 1、 Davies, Michael J.,Gilbert, Bruce C.,Norman, Richard O.. "ELECTRON SPIN RESONANCE STUDIES. PART 64. THE HYDROXYL RADICAL-INDUCED DECARBOXYLATION OF METHIONINE AND SOME RELATED COMPOUNDS". . p. 731 - 738. Retrieved 2007/10/02.