1,2,4-Butanetriol trinitrate

Base Information

• Chemical Name: 1,2,4-Butanetriol trinitrate
• CAS No.: 6659-60-5
• Molecular Formula: C4H7 N3 O9
• Molecular Weight: 241.114
• Hs Code.: 2920909090
• European Community (EC) Number: 229-697-1
• UNII: ZV2U79W7V4
• DSSTox Substance ID: DTXSID90863924
• Wikipedia: 1,2,4-Butanetriol_trinitrate
• Wikidata: Q3362555
• Mol file: 6659-60-5.mol

Synonyms:1,2,4-Butanetriol trinitrate;6659-60-5;BTTN;1,2,4-Butanetriol, trinitrate;1,2,4-Butanetriol, 1,2,4-trinitrate;1,4-dinitrooxybutan-2-yl nitrate;Butane-1,2,4-triyl nitrate;ZV2U79W7V4;Butane-1,2,4-triyl trinitrate;EINECS 229-697-1;UNII-ZV2U79W7V4;1,2,4-Butanetriol trinitrate [Forbidden];1,2,4-BUTANETRIOLTRINITRATE;SCHEMBL961470;DTXSID90863924;1,2,4-BUTANETRIYL NITRATE;1,2,4-Butanetriol,1,2,4-trinitrate;Q3362555

Chemical Property of 1,2,4-Butanetriol trinitrate

Chemical Property:

• Vapor Pressure: 0.000248mmHg at 25°C
• Refractive Index: 1.5700 (estimate)
• Boiling Point: 334.4 °C at 760 mmHg
• Flash Point: 162.4 °C
• PSA: 165.15000
• Density: 1.582 g/cm³
• LogP: 0.93960
• Storage Temp.: ?20°C
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 6
• Exact Mass: 241.01822881
• Heavy Atom Count: 16
• Complexity: 251

Purity/Quality:

99%, ^*data from raw suppliers

1,2,4-BUTANETRIOL TRINITRATE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): F,Xn
• Hazard Codes: F,Xn
• Statements: 11-20/21/22-36
• Safety Statements: 16-36/37

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 1,2,4-Butanetriol trinitrate

There total 1 articles about 1,2,4-Butanetriol trinitrate 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: 80.0%

D,L-1,2,4-butanetriol (3068-00-6,6810-31-7) → 1,2,4-butanetriol trinitrate (6659-60-5)

Guidance literature:

With ammonium nitrate; sulfuric acid; at 15 ℃; for 3h; Cooling with ice;

upstream raw materials:

D,L-1,2,4-butanetriol

Refernces

• 1、 -. "METHODS OF PRODUCING NITRATE ESTERS". Page/Page column 5. . Retrieved 2012/06/01.