Dinitromethane

Base Information

• Chemical Name: Dinitromethane
• CAS No.: 625-76-3
• Molecular Formula: CH2N2O4
• Molecular Weight: 106.038
• DSSTox Substance ID: DTXSID50211548
• Nikkaji Number: J78.383H
• Wikipedia: Dinitromethane
• Wikidata: Q1226509
• Mol file: 625-76-3.mol

Synonyms:DINITROMETHANE;625-76-3;Dinitromethane [Forbidden];Methane, dinitro-;dinitro-methane;SCHEMBL2834719;WINNISSSXBRWMA-UHFFFAOYSA-;DTXSID50211548;Q1226509

Chemical Property of Dinitromethane

Chemical Property:

• Vapor Pressure: 0.844mmHg at 25°C
• Refractive Index: 1.4400 (estimate)
• Boiling Point: 181.6°C at 760 mmHg
• PKA: 3.6(at 25℃)
• Flash Point: 90.4°C
• PSA: 91.64000
• Density: 1.501g/cm³
• LogP: 0.54370
• XLogP3: 0.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 106.00145655
• Heavy Atom Count: 7
• Complexity: 74.8

Purity/Quality:

99% ^*data from raw suppliers

DINITROMETHANE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Dinitromethane

There total 8 articles about Dinitromethane 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:

potassium methylnitrosolate → Metafulminuric acid (42526-20-5) + trinitromethane (517-25-9,57073-37-7) + dinitromethane (625-76-3) + 3,4-bis((hydroxyimino)methyl)-1,2,5-oxadiazole 2-oxide (153309-81-0)

Guidance literature:

With dinitrogen tetraoxide;

DOI:10.1007/s11172-010-0040-4

Reference yield:

9-Dinitromethyl-9-ethoxy-9H-fluorene (82615-42-7) → 9-fluorenone (486-25-9,952573-42-1) + ethanol (64-17-5) + dinitromethane (625-76-3)

Guidance literature:

With water; In 1,4-dioxane; at 25 ℃; Rate constant; pH range: 3 - 12;

DOI:10.1021/jo00142a012

Reference yield:

9-Dinitromethyl-9-isopropoxy-9H-fluorene (82615-41-6) → 9-fluorenone (486-25-9,952573-42-1) + dinitromethane (625-76-3) + isopropyl alcohol (67-63-0,8013-70-5)

Guidance literature:

With water; In 1,4-dioxane; at 25 ℃; Rate constant; pH range: 3 - 12;

DOI:10.1021/jo00142a012

upstream raw materials:

9-(dinitro-methylene)fluorene

9-Dinitromethyl-9-ethoxy-9H-fluorene

9-Dinitromethyl-9-isopropoxy-9H-fluorene

9-Dinitromethyl-9-(2,2,2-trifluoro-ethoxy)-9H-fluorene

Downstream raw materials:

4,4-dinitro-3,5-diphenyl-cyclohexanone

4,4-dinitro-1-phenyl-butan-1-one

4,4-dinitro-1,7-diphenyl-heptane-1,7-dione

5,5-dinitro-4-phenyl-pentan-2-one

Refernces

• 1、 Hoz, Shmaryahu,Gross, Zeev,Speizman, Dov. "Nucleophilic Attacks on LL (Low LUMO) Substrates. Part 3. Molecular Stacking of 9-Methylenefluorene Derivatives as a Source of Zero-order Reactions". . p. 1143 - 1146. Retrieved 2007/10/02.