Dopentacontane

Base Information

• Chemical Name: Dopentacontane
• CAS No.: 7719-79-1
• Molecular Formula: C₅₂H₁₀₆
• Molecular Weight: 731.414
• DSSTox Substance ID: DTXSID60335022
• Nikkaji Number: J702.647A
• Wikidata: Q18456327
• Mol file: 7719-79-1.mol

Synonyms:dopentacontane;7719-79-1;DTXSID60335022;Q18456327

Chemical Property of Dopentacontane

Chemical Property:

• Vapor Pressure: 3.58E-13mmHg at 25°C
• Melting Point: 90-93 °C
• Refractive Index: 1.46
• Boiling Point: 587.6°C at 760 mmHg
• Flash Point: 527°C
• PSA: 0.00000
• Density: 0.824g/cm³
• LogP: 20.53120
• XLogP3: 27.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 49
• Exact Mass: 730.82945338
• Heavy Atom Count: 52
• Complexity: 514

Purity/Quality:

99%, ^*data from raw suppliers

Dopentacontane ^*data from reagent suppliers

Safty Information:

• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC

Technology Process of Dopentacontane

There total 2 articles about Dopentacontane 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-Brom-hexacosan (4276-51-1) → dopentacontane (7719-79-1)

Guidance literature:

With diethyl ether; magnesium;

Reference yield:

hexacosyl alcohol (506-52-5) → dopentacontane (7719-79-1)

Guidance literature:

Multi-step reaction with 2 steps

1: hydrogen bromide / 150 °C

2: magnesium; diethyl ether

With diethyl ether; hydrogen bromide; magnesium;

upstream raw materials:

1-Brom-hexacosan

hexacosyl alcohol