21-bromohenicosanoic Acid

Base Information

• Chemical Name: 21-bromohenicosanoic Acid
• CAS No.: 855953-37-6
• Molecular Formula: C₂₁H₄₁BrO₂
• Molecular Weight: 405.459
• Hs Code.: 2915900090
• DSSTox Substance ID: DTXSID30370804
• Wikidata: Q82157964
• Mol file: 855953-37-6.mol

Synonyms:21-bromohenicosanoic Acid;855953-37-6;21-Bromoheneicosanoic acid;21-bromo-heneicosanecarboxylic acid;21-BROMOHENEICOSANECARBOXYLIC ACID;21-bromohenicosanoicAcid;21-Bromoheneicosanoicacid;SCHEMBL7824895;DTXSID30370804;MFCD00082607;AKOS025295838;BS-51635

Chemical Property of 21-bromohenicosanoic Acid

Chemical Property:

• Vapor Pressure: 7.87E-11mmHg at 25°C
• Melting Point: 80-82 °C
• Refractive Index: 1.479
• Boiling Point: 487.3 °C at 760 mmHg
• Flash Point: 248.5 °C
• PSA: 37.30000
• Density: 1.058 g/cm³
• LogP: 7.87780
• XLogP3: 8.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 20
• Exact Mass: 404.22899
• Heavy Atom Count: 24
• Complexity: 256

Purity/Quality:

98.5% ^*data from raw suppliers

21-BROMOHENEICOSANOIC ACID 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(CCCCCCCCCCBr)CCCCCCCCCC(=O)O

Technology Process of 21-bromohenicosanoic Acid

There total 3 articles about 21-bromohenicosanoic Acid 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:

→ 21-bromo-heneicosanoic acid (855953-37-6)

Guidance literature:

With hydrogen bromide; acetic acid;

Reference yield:

21-methoxy-heneicosanoic acid (855892-41-0) → 21-bromo-heneicosanoic acid (855953-37-6)

Guidance literature:

With sulfuric acid; hydrogen bromide; acetic acid;

DOI:10.1039/jr9520004151

Reference yield:

21-methoxy-10-oxo-heneicosanoic acid (855922-61-1) → 21-bromo-heneicosanoic acid (855953-37-6)

Guidance literature:

Multi-step reaction with 2 steps

1: diethylene glycol; hydrazine; sodium hydroxide / 195 °C

2: acetic acid; concentrated sulfuric acid; hydrogen bromide

With sodium hydroxide; sulfuric acid; hydrogen bromide; acetic acid; hydrazine; diethylene glycol;

DOI:10.1039/jr9520004151

upstream raw materials:

21-methoxy-heneicosanoic acid

21-methoxy-10-oxo-heneicosanoic acid