Bromopentafluoroacetone

Base Information

• Chemical Name: Bromopentafluoroacetone
• CAS No.: 815-23-6
• Molecular Formula: C₃BrF₅O
• Molecular Weight: 226.928
• Hs Code.: 2914700090
• DSSTox Substance ID: DTXSID70371299
• Wikidata: Q82158589
• Mol file: 815-23-6.mol

Synonyms:Bromopentafluoroacetone;815-23-6;1-bromo-1,1,3,3,3-pentafluoropropan-2-one;BROMOPENTAFLUORO-2-PROPANONE;SCHEMBL6408848;DTXSID70371299;IYDJQZOFWOSTFO-UHFFFAOYSA-N;Bromopentafluoroacetone, AldrichCPR;MFCD00153080;AKOS015833924;AS-81523;CS-0455889;FT-0623253;1-bromo-1,1,3,3,3-pentafluoro-2-propanone;A840152;1-bromanyl-1,1,3,3,3-pentakis(fluoranyl)propan-2-one

Chemical Property of Bromopentafluoroacetone

Chemical Property:

• Vapor Pressure: 117mmHg at 25°C
• Refractive Index: 1.343
• Boiling Point: 72.8 °C at 760 mmHg
• Flash Point: 31-33°C
• PSA: 17.07000
• Density: 1.961 g/cm³
• LogP: 2.10550
• Storage Temp.: Keep Cold
• Sensitive.: Light Sensitive/Lachrymatory
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 1
• Exact Mass: 225.90527
• Heavy Atom Count: 10
• Complexity: 150

Purity/Quality:

99% ^*data from raw suppliers

Bromopentafluoroacetone ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C; T; Xi
• Hazard Codes: C,T,Xi
• Statements: 34-25
• Safety Statements: 23-36/37/39-45

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Bromopentafluoroacetone

There total 5 articles about Bromopentafluoroacetone 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: 80.0%

α-(fluorosulfato)pentafluoroacetone (51689-98-6) → 1-bromo-1,1,3,3,3-pentafluoro-propan-2-one (815-23-6)

Guidance literature:

With lithium bromide; In diethylene glycol dimethyl ether; at 25 ℃; for 1h;

DOI:10.1007/BF00958254

Reference yield:

Hexafluoroacetone (684-16-2) → 1-bromo-1,1,3,3,3-pentafluoro-propan-2-one (815-23-6) + 3-Bromo-1,1,1,3,5,5,5-heptafluoro-4-hydroxy-4-trifluoromethyl-pentan-2-one (125213-80-1)

Guidance literature:

With bromine; aluminium; mercury dichloride; Yield given. Multistep reaction; 1) THF, 20-24 deg C, 1h, 2) CH₃CN;

DOI:10.1007/BF00955452

Reference yield:

chloro-(1,1,3,3,3-pentafluoro-2-oxo-propyl)-mercury (60644-79-3) → 1-bromo-1,1,3,3,3-pentafluoro-propan-2-one (815-23-6)

Guidance literature:

With bromine; In diethylene glycol dimethyl ether;

upstream raw materials:

3,3,3-tribromo-1,1,1-trifluoroacetone

1,2-dibromo-1,1,3,3,3-pentafluoro-propan-2-ol

chloro-(1,1,3,3,3-pentafluoro-2-oxo-propyl)-mercury

α-(fluorosulfato)pentafluoroacetone

Refernces

• 1、 Rogovik, V. M.,Delyagina, N. I.,Mysov, E. I.,Cherstov, V. F.,Sterlin, S. R.,German, L. S.. "FLUOROALIPHATIC ESTERS OF FLUOROSULFONIC ACID. 4. REACTIONS OF α-FLUOROSULFATOPERFLUORO KETONES WITH NUCLEOPHILIC REAGENTS". . p. 1879 - 1882. Retrieved 2007/10/02.