Pentafluorophenacyl bromide

Base Information

• Chemical Name: Pentafluorophenacyl bromide
• CAS No.: 5122-16-7
• Molecular Formula: C8H2BrF5O
• Molecular Weight: 288.999
• Hs Code.: 2914700090
• DSSTox Substance ID: DTXSID70379755
• Nikkaji Number: J306.308I
• Wikidata: Q82169712
• Mol file: 5122-16-7.mol

Synonyms:Pentafluorophenacyl bromide;5122-16-7;(Bromoacetyl)pentafluorobenzene;2-bromo-1-(2,3,4,5,6-pentafluorophenyl)ethanone;2-Bromo-1-(perfluorophenyl)ethanone;2,3,4,5,6-pentafluorophenacyl bromide;2-Bromo-2',3',4',5',6'-pentafluoroacetophenone;(pentafluorobenzoyl)bromomethane;SCHEMBL1481978;DTXSID70379755;CIYHGZNFDGHGDK-UHFFFAOYSA-N;MFCD00484757;AKOS008901434;2-Bromo-1-(perfluorophenyl)ethan-1-one;BS-23821;2-bromo-1-(pentafluorophenyl)ethan-1-one;CS-0206660;FT-0676439;alpha-Bromo-2',3',4',5',6'-pentafluoroacetophenone;1-(2,3,4,5,6-pentafluorophenyl)-2-bromo-1-ethanone

Chemical Property of Pentafluorophenacyl bromide

Chemical Property:

• Appearance/Colour: low melting point solid
• Vapor Pressure: 0.0263mmHg at 25°C
• Melting Point: 30-32 °C
• Refractive Index: 1.478
• Boiling Point: 247 °C at 760 mmHg
• Flash Point: 103.2 °C
• PSA: 17.07000
• Density: 1.862 g/cm³
• LogP: 2.95970
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 287.92092
• Heavy Atom Count: 15
• Complexity: 235

Purity/Quality:

99% ^*data from raw suppliers

(Bromoacetyl)pentafluorobenzene 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): T
• Hazard Codes: T
• Statements: 34-36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(C(=O)C1=C(C(=C(C(=C1F)F)F)F)F)Br

Technology Process of Pentafluorophenacyl bromide

There total 7 articles about Pentafluorophenacyl bromide 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:

2',3',4',5',6'-pentafluoroacetophenone (652-29-9) → 1-(2,3,4,5,6-pentafluorophenyl)-2-bromo-1-ethanone (5122-16-7)

Guidance literature:

With bromine;

DOI:10.1039/j39670000293

Reference yield:

2',3',4',5',6'-pentafluoroacetophenone (652-29-9) → 1-(2,3,4,5,6-pentafluorophenyl)-2-bromo-1-ethanone (5122-16-7) + pentafluorophenacyl dibromide (124562-73-8)

Guidance literature:

With copper(ll) bromide; In chloroform; ethyl acetate; for 4h; Title compound not separated from byproducts; Heating;

DOI:10.1021/jo00293a024

Reference yield:

2,3,4,5,6-pentafluorophenylmagnesium bromide (879-05-0) → 1-(2,3,4,5,6-pentafluorophenyl)-2-bromo-1-ethanone (5122-16-7)

Guidance literature:

Multi-step reaction with 2 steps

1: diethyl ether / Heating

2: CrO₃, AcOH

With chromium(VI) oxide; acetic acid; In diethyl ether;

DOI:10.1039/j39660000597

upstream raw materials:

2',3',4',5',6'-pentafluoroacetophenone

--methanol

Pentafluorobenzonitrile

2,3,4,5,6-pentafluorobenzamide

Downstream raw materials:

Triethyl-(1-pentafluorophenyl-vinyloxy)-silane

2',3',4',5',6'-pentafluoroacetophenone

2-(pentafluorophenyl)imidazo[1,2-a]pyridine

4,4'-bis(perfluorophenyl)-2,2'-bithiazole

Refernces

• 1、 Siram, Raja Bhaskar Kanth,Karothu, Durga Prasad,Guru Row, Tayur N.,Patil, Satish. "Unique type II halogen ... halogen interactions in pentafluorophenyl-appended 2,2'-bithiazoles". . p. 1045 - 1049. Retrieved 2013/08/25.