1-Bromotriacontane

Base Information

• Chemical Name: 1-Bromotriacontane
• CAS No.: 4209-22-7
• Molecular Formula: C30H61Br
• Molecular Weight: 501.718
• Hs Code.: 2903399090
• DSSTox Substance ID: DTXSID601316056
• Mol file: 4209-22-7.mol

Synonyms:1-Bromotriacontane;Triacontane, 1-bromo-;4209-22-7;1-Bromotriacontane #;SCHEMBL5575813;DTXSID601316056;FT-0700918

Chemical Property of 1-Bromotriacontane

Chemical Property:

• Vapor Pressure: 1.48E-08mmHg at 25°C
• Melting Point: 64-65℃
• Refractive Index: 1.4971 (estimate)
• Boiling Point: 470oC at 760 mmHg
• Flash Point: 196.1oC
• PSA: 0.00000
• Density: 0.934g/cm3
• LogP: 12.32400
• XLogP3: 16.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 28
• Exact Mass: 500.39566
• Heavy Atom Count: 31
• Complexity: 288

Purity/Quality:

99%, ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCBr

Technology Process of 1-Bromotriacontane

There total 2 articles about 1-Bromotriacontane 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: 85.5%

melissyl alcohol (593-50-0) → n-Triacontyl bromide (4209-22-7)

Guidance literature:

With carbon tetrabromide; triphenylphosphine; In acetonitrile; for 2h; Heating;

DOI:10.1021/jm950666h

Reference yield:

→ n-Triacontyl bromide (4209-22-7)

Guidance literature:

9-Carboethoxynonanal, Eicosylidentriphenylphosphoran;

DOI:10.1246/bcsj.40.391

Reference yield: 94.0%

n-Triacontyl bromide (4209-22-7) + 4'-methyl-2,2':6',2''-terpyridine (72036-41-0) → 4'-Hentriacontyl-2,2':6',2''-terpyridine (167026-72-4)

Guidance literature:

With lithium diisopropyl amide; In tetrahydrofuran; hexane;

DOI:10.1039/DT9950001769

upstream raw materials:

melissyl alcohol

Downstream raw materials:

4'-Hentriacontyl-2,2':6',2''-terpyridine

1-octatetracontanol

hexakis(triacontyloxy)hexadehydrotribenzo[12]annulene

4-(triacontyloxy)salicylaldehyde

Refernces

• 1、 Pissas, D.,Dais, Photis,Mikros, E.. "Quantitative Treatment of the Rotational Dynamics of Flexible-Chain Molecules. 13C NMR Relaxation Study of Hydrocarbon Chains Attached to the Fluorene Anchor". . p. 263 - 275. Retrieved 2007/10/02.