Glycerol-2-nitrate

Base Information

• Chemical Name: Glycerol-2-nitrate
• CAS No.: 620-12-2
• Molecular Formula: C3H7 N O5
• Molecular Weight: 137.092
• Hs Code.: 2920909090
• European Community (EC) Number: 804-133-2
• UNII: K3K9AJ5J41
• DSSTox Substance ID: DTXSID80211031
• Wikidata: Q27281903
• ChEMBL ID: CHEMBL462931
• Mol file: 620-12-2.mol

Synonyms:glycerol-2-nitrate

Chemical Property of Glycerol-2-nitrate

Chemical Property:

• Vapor Pressure: 0.983mmHg at 25°C
• Melting Point: 54°C
• Refractive Index: 1.4698 (estimate)
• Boiling Point: 157.5°C at 760 mmHg
• PKA: 13.19±0.10(Predicted)
• Flash Point: 49.1°C
• PSA: 95.51000
• Density: 1.48g/cm³
• LogP: -0.92890
• Storage Temp.: ?20°C
• XLogP3: -0.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 137.03242232
• Heavy Atom Count: 9
• Complexity: 84.7

Purity/Quality:

98%min ^*data from raw suppliers

2-Mononitroglycerin solution 1.0?mg/mL in acetonitrile, ampule of 1?mL, certified reference material, Cerilliant? ^*data from reagent suppliers

Safty Information:

• 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(C(CO)O[N+](=O)[O-])O

Technology Process of Glycerol-2-nitrate

There total 9 articles about Glycerol-2-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: 53.0%

2-glyceryl mononitrate 1,3-diacetate (1171956-50-5) → glycerol 2-nitrate (620-12-2)

Guidance literature:

With water; sodium hydroxide; In dichloromethane; at 20 ℃; for 0.116667h;

DOI:10.1016/j.bmcl.2008.04.057

Reference yield:

glycerin trinitrate (55-63-0,9010-02-0) → glycerol 2-nitrate (620-12-2) + 1,3-bis(nitrooxy)propan-2-ol (623-87-0) + glyceryl 1,2-dinitrate (621-65-8) + glycerol (56-81-5,25618-55-7,64333-26-2,8013-25-0)

Guidance literature:

With iron; In water; pH=7.4; Further Variations:; Reagents; Kinetics;

DOI:10.1021/es0354667

Reference yield:

glycerol (56-81-5,25618-55-7,64333-26-2,8013-25-0) → glycerol 2-nitrate (620-12-2)

Guidance literature:

With nitric acid; at 0 ℃; Equilibrium constant; other temperatures, other acidities of the medium;

DOI:10.1007/BF00961477

upstream raw materials:

glycerol

glyceryl 1,2-dinitrate

glycerin trinitrate

1,4-dioxane

Downstream raw materials:

glycerol

1,3-bis-(4-nitro-benzoyloxy)-2-nitryloxy-propane

Refernces

• 1、 Oh, Seok-Young,Cha, Daniel K.,Kim, Byung J.,Chiu, Pei C.. "Reduction of nitroglycerin with elemental iron: Pathway, kinetics, and mechanisms". . p. 3723 - 3730. Retrieved 2007/10/03.
• 2、 Kazakov, A. I.,Kirpichev, E. P.,Lagodzinskaya, G. V.,Andrienko, L. P.,Yunda, N. G.,et al.. "STUDY OF NITRATION EQUILIBRIUM IN THE GLYCERIN-AQUEOUS NITRIC ACID SYSTEM. 2. CHANGES IN ΔH AND ΔS IN THE NITRATION REACTION". . p. 1565 - 1570. Retrieved 2007/10/02.