1,5-Pentanediol, dinitrate

Base Information

• Chemical Name: 1,5-Pentanediol, dinitrate
• CAS No.: 3457-92-9
• Molecular Formula: C5H10 N2 O6
• Molecular Weight: 194.144
• Hs Code.: 2920909090
• DSSTox Substance ID: DTXSID80188118
• Wikidata: Q83059905
• Mol file: 3457-92-9.mol

Synonyms:1,5-Pentanediol, dinitrate;Pentamethylene dinitrate;3457-92-9;1,5-pentanediol dinitrate;Pentamethylene nitrate;1,5-bis-nitryloxy-pentane;SCHEMBL1842696;DTXSID80188118;MIYIEPHJPVBSEV-UHFFFAOYSA-N

Chemical Property of 1,5-Pentanediol, dinitrate

Chemical Property:

• Vapor Pressure: 0.00906mmHg at 25°C
• Boiling Point: 274.4°Cat760mmHg
• Flash Point: 127.4°C
• PSA: 110.10000
• Density: 1.299g/cm³
• LogP: 1.61970
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 6
• Exact Mass: 194.05388604
• Heavy Atom Count: 13
• Complexity: 143

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 1,5-Pentanediol, dinitrate

There total 2 articles about 1,5-Pentanediol, 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: 82.0%

1,5-dibromo-pentane (111-24-0) → 1,5-pentanediol dinitrate (3457-92-9)

Guidance literature:

With silver nitrate; In acetonitrile; at 70 ℃; for 2h; Darkness;

Reference yield:

1 ,5-pentanediol (111-29-5) → 1,5-pentanediol dinitrate (3457-92-9)

Guidance literature:

With sulfuric acid; nitric acid;

DOI:10.1021/j150548a021

Reference yield: 5.0%

1,5-pentanediol dinitrate (3457-92-9) → TETRAHYDROPYRANE (142-68-7) + 1 ,5-pentanediol (111-29-5)

Guidance literature:

In tetralin; at 140 ℃; Mechanism; Kinetics; Ea, log A, other temperatures;

DOI:10.1021/j100163a013

upstream raw materials:

1 ,5-pentanediol

1,5-dibromo-pentane

Downstream raw materials:

1,5-dinitropentane

5-nitropentane-1-ol

TETRAHYDROPYRANE

1 ,5-pentanediol