Trimethylene dinitrate

Base Information

• Chemical Name: Trimethylene dinitrate
• CAS No.: 3457-90-7
• Molecular Formula: C₃H₆N₂O₆
• Molecular Weight: 166.09
• Hs Code.: 2920909090
• NSC Number: 62613
• UNII: 4NLR2HTY9M
• DSSTox Substance ID: DTXSID20188117
• Wikidata: Q83059901
• Mol file: 3457-90-7.mol

Synonyms:Trimethylene dinitrate;Trimethylene nitrate;1,3-Propanediol, dinitrate;1,3-Propanediol dinitrate;1,3-Propylene glycol dinitrate;3457-90-7;NSC-62613;NSC 62613;1,3-Propanediol, dinitrate (8CI)(9CI);4NLR2HTY9M;1,3-bis-(nitrooxy)propane;SCHEMBL4731008;DTXSID20188117;KOSAMXZBGUIISK-UHFFFAOYSA-N;1,3-Propanediol, 1,3-dinitrate;NSC62613

Chemical Property of Trimethylene dinitrate

Chemical Property:

• Vapor Pressure: 0.0825mmHg at 25°C
• Boiling Point: 234°Cat760mmHg
• Flash Point: 118.8°C
• PSA: 110.10000
• Density: 1.427g/cm³
• LogP: 0.83950
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 166.02258592
• Heavy Atom Count: 11
• Complexity: 120

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Nitrogen Compounds -> Nitrates and Nitrites
• Canonical SMILES: C(CO[N+](=O)[O-])CO[N+](=O)[O-]

Technology Process of Trimethylene dinitrate

There total 8 articles about Trimethylene dinitrate 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%

trimethyleneglycol (504-63-2) → 1,3-bis-nitrooxy propane (3457-90-7)

Guidance literature:

With carbon dioxide; dinitrogen pentoxide; at 0 ℃; for 0.5h; under 45004.5 - 60006 Torr; Autoclave;

DOI:10.1016/j.mencom.2012.03.004

Reference yield: 88.0%

trimethylene oxide (503-30-0) → 1,3-bis-nitrooxy propane (3457-90-7)

Guidance literature:

With dinitrogen pentoxide; In chloroform; at 5 - 10 ℃; for 0.75h; in armoured cupboard;

DOI:10.1016/S0040-4020(01)87979-5

Reference yield: 88.0%

trimethylene oxide (503-30-0) + N2 O5 → 1,3-bis-nitrooxy propane (3457-90-7)

Guidance literature:

In dichloromethane;

upstream raw materials:

1,5-pentanedioic acid

trimethyleneglycol

trimethylene oxide

1,3-dibromo-propane

Refernces

• 1、 -. "PROCESS FOR THE MANUFACTURE OF OMEGA NITROOXY-1-ALKANOLS". Page/Page column 10-11; 12. . Retrieved 2020/05/06.
• 2、 Kuchurov, Ilya V.,Fomenkov, Igor V.,Zlotin, Sergei G.,Tartakovsky, Vladimir A.. "Synthesis of nitric acid esters from alcohols in a dinitrogen pentoxide/carbon dioxide liquid system". experimental part. p. 67 - 69. Retrieved 2012/07/02.