Propatyl nitrate

Base Information

• Chemical Name: Propatyl nitrate
• CAS No.: 2921-92-8
• Molecular Formula: C6H11 N3 O9
• Molecular Weight: 269.168
• European Community (EC) Number: 220-866-5
• UNII: AJT2YN495R
• DSSTox Substance ID: DTXSID40183467
• Wikipedia: Propatylnitrate
• Wikidata: Q7250097
• NCI Thesaurus Code: C74425
• Metabolomics Workbench ID: 154084
• ChEMBL ID: CHEMBL488280
• Mol file: 2921-92-8.mol

Synonyms:1,1,1-tris(hydroxymethyl)propane nitrate;propatyl nitrate

Chemical Property of Propatyl nitrate

Chemical Property:

• Vapor Pressure: 6.17E-05mmHg at 25°C
• Melting Point: 51-52°
• Refractive Index: 1.5500 (estimate)
• Boiling Point: 356°Cat760mmHg
• Flash Point: 159°C
• PSA: 165.15000
• Density: 1.454g/cm³
• LogP: 1.57730
• Water Solubility.: 9.49g/L at 20℃
• XLogP3: 2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 7
• Exact Mass: 269.04952894
• Heavy Atom Count: 18
• Complexity: 257

Purity/Quality:

99.9% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(CO[N+](=O)[O-])(CO[N+](=O)[O-])CO[N+](=O)[O-]
• Recent ClinicalTrials: Acute Episodes in Chronic Stable Angina: Assessment of the Use of the Coronary Vasodilator Propatyl Nitrate.
• Uses: Vasodilator (coronary).

Technology Process of Propatyl nitrate

There total 1 articles about Propatyl nitrate 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:

1,1,1-tri(hydroxymethyl)propane (77-99-6) → 1-nitryloxy-2,2-bis-nitryloxymethyl-butane (2921-92-8)

Guidance literature:

With sulfuric acid; nitric acid;

upstream raw materials:

1,1,1-tri(hydroxymethyl)propane