Butyl tribromoacetate

Base Information

• Chemical Name: Butyl tribromoacetate
• CAS No.: 59956-61-5
• Molecular Formula: C6H9Br3O2
• Molecular Weight: 352.848
• European Community (EC) Number: 261-991-5
• DSSTox Substance ID: DTXSID80208668
• Nikkaji Number: J298.748A
• Wikidata: Q83082784
• Mol file: 59956-61-5.mol

Synonyms:Butyl tribromoacetate;59956-61-5;EINECS 261-991-5;n-Butyltribromoacetate;C6H9Br3O2;Tribromoacetic acid butyl ester;C6-H9-Br3-O2;SCHEMBL11422785;DTXSID80208668

Chemical Property of Butyl tribromoacetate

Chemical Property:

• Vapor Pressure: 0.012mmHg at 25°C
• Refractive Index: 1.555
• Boiling Point: 260.8 °C at 760 mmHg
• Flash Point: 111.5 °C
• PSA: 26.30000
• Density: 2.067 g/cm³
• LogP: 3.16820
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 351.81322
• Heavy Atom Count: 11
• Complexity: 130

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCOC(=O)C(Br)(Br)Br

Technology Process of Butyl tribromoacetate

There total 1 articles about Butyl tribromoacetate 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: 62.0%

hexabromoacetone (23162-64-3) + butan-1-ol (71-36-3) → C6H9Br3O2 (59956-61-5)

Guidance literature:

With N,N-dimethyl-formamide; at 60 ℃; for 10h;

DOI:10.1016/j.tetlet.2009.03.093

upstream raw materials:

hexabromoacetone

butan-1-ol

Refernces