1,3-Propanediol, 2-nitro-2-[(nitrooxy)methyl]-, dinitrate (ester)

Base Information

• Chemical Name: 1,3-Propanediol, 2-nitro-2-[(nitrooxy)methyl]-, dinitrate (ester)
• CAS No.: 20820-44-4
• Molecular Formula: C4H6N4O11
• Molecular Weight: 286.112
• European Community (EC) Number: 244-060-8
• DSSTox Substance ID: DTXSID60885153
• Wikidata: Q82863767
• Mol file: 20820-44-4.mol

Synonyms:20820-44-4;1,3-Propanediol, 2-nitro-2-[(nitrooxy)methyl]-, dinitrate (ester);1,3-Propanediol, 2-(hydroxymethyl)-2-nitro-, trinitrate (ester);1,3-Propanediol, 2-nitro-2-[(nitrooxy)methyl]-, 1,3-dinitrate;Nitroisobutanetriol trinitrate;Nitroisobutylglycol trinitrate;[2-nitro-3-nitrooxy-2-(nitrooxymethyl)propyl] nitrate;Nitroisobutyl glyceryl trinitrate;DTXSID60885153;1,3-Propandiol trinitrate-2-hydroxymethyl-2-nitro;2-nitro-2[(nitrooxy)methyl]-1,3-propanediol dinitrate;1,3-Propanediol, 2-(hydroxymethyl)-2-nitro-, trinitrate;1,3-Propanediol, 2-nitro-2-[(nitrooxy)methyl]-, dinitrate

Chemical Property of 1,3-Propanediol, 2-nitro-2-[(nitrooxy)methyl]-, dinitrate (ester)

Chemical Property:

• Vapor Pressure: 1.21E-06mmHg at 25°C
• Refractive Index: 1.8500 (estimate)
• Boiling Point: 401.1°C at 760 mmHg
• Flash Point: 194.7°C
• PSA: 205.46000
• Density: 1.735g/cm³
• LogP: 0.08780
• XLogP3: 0.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 6
• Exact Mass: 286.00330702
• Heavy Atom Count: 19
• Complexity: 313

Purity/Quality:

98%Min ^*data from raw suppliers

2-NITRO-2-[(NITROOXY)METHYL]-1,3-PROPANEDIOL 1,3-DINITRATE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 1,3-Propanediol, 2-nitro-2-[(nitrooxy)methyl]-, dinitrate (ester)

There total 2 articles about 1,3-Propanediol, 2-nitro-2-[(nitrooxy)methyl]-, dinitrate (ester) 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:

2-hydroxymethyl-2-nitro-propane-1,3-diol (126-11-4) → 2-nitro-1,3-bis-nitryloxy-2-nitryloxymethyl-propane (20820-44-4)

Guidance literature:

With sulfuric acid; nitric acid;

Reference yield:

2-hydroxymethyl-2-nitro-propane-1,3-diol (126-11-4) → 2-nitro-1,3-bis-nitryloxy-2-nitryloxymethyl-propane (20820-44-4)

Guidance literature:

Reference yield:

2-nitro-1,3-bis-nitryloxy-2-nitryloxymethyl-propane (20820-44-4) → carbonic-acid (463-79-6) + water (7732-18-5)

Guidance literature:

explodiert bei mechanischer Einw_.;

upstream raw materials:

2-hydroxymethyl-2-nitro-propane-1,3-diol

Downstream raw materials:

carbonic-acid

water