Pentabromophenyl butyrate

Base Information

• Chemical Name: Pentabromophenyl butyrate
• CAS No.: 83929-71-9
• Molecular Formula: C₁₀H₇Br₅O₂
• Molecular Weight: 558.684
• European Community (EC) Number: 281-365-5
• DSSTox Substance ID: DTXSID20232826
• Nikkaji Number: J332.924K
• Mol file: 83929-71-9.mol

Synonyms:Pentabromophenyl butyrate;83929-71-9;EINECS 281-365-5;Butanoic acid,2,3,4,5,6-pentabromophenyl ester;C10H7Br5O2;C10-H7-Br5-O2;DTXSID20232826;Butanoic acid pentabromophenyl ester

Chemical Property of Pentabromophenyl butyrate

Chemical Property:

• Vapor Pressure: 8.67E-09mmHg at 25°C
• Refractive Index: 1.625
• Boiling Point: 464 °C at 760 mmHg
• Flash Point: 234.4 °C
• PSA: 26.30000
• Density: 2.318 g/cm³
• LogP: 6.20460
• XLogP3: 6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 557.63219
• Heavy Atom Count: 17
• Complexity: 259

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCC(=O)OC1=C(C(=C(C(=C1Br)Br)Br)Br)Br

Technology Process of Pentabromophenyl butyrate

There total 1 articles about Pentabromophenyl butyrate 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: 96.0%

sodium salt of pentabromophenol (3784-06-3) → pentabromophenyl butyrate (83929-71-9)

Guidance literature:

With copper(I) bromide; at 160 - 170 ℃;

upstream raw materials:

sodium salt of pentabromophenol

Refernces