Pentafluoropropionyl chloride

Base Information

• Chemical Name: Pentafluoropropionyl chloride
• CAS No.: 422-59-3
• Molecular Formula: C3ClF5O
• Molecular Weight: 182.477
• European Community (EC) Number: 207-017-4
• UNII: D3MJ472AQY
• DSSTox Substance ID: DTXSID9059967
• Nikkaji Number: J196.091A
• Wikidata: Q72499867
• Mol file: 422-59-3.mol

Synonyms:Pentafluoropropionyl chloride;422-59-3;Perfluoropropionyl chloride;2,2,3,3,3-pentafluoropropanoyl chloride;Pentafluoropropionylchloride;Propanoyl chloride, pentafluoro-;D3MJ472AQY;Propanoyl chloride, 2,2,3,3,3-pentafluoro-;EINECS 207-017-4;CF3CF2COCl;Pentafluoropropanyl chloride;UNII-D3MJ472AQY;SCHEMBL428207;(Pentafluoropropionyl) chloride;DTXSID9059967;MFCD00039308;AKOS005762839;FT-0632114

Chemical Property of Pentafluoropropionyl chloride

Chemical Property:

• Vapor Pressure: 1150mmHg at 25°C
• Refractive Index: 1.304
• Boiling Point: 13.7 °C at 760 mmHg
• Flash Point: -38℃
• PSA: 17.07000
• Density: 1.602 g/cm³
• LogP: 1.94940
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 1
• Exact Mass: 181.9557831
• Heavy Atom Count: 10
• Complexity: 150

Purity/Quality:

98%,99%, ^*data from raw suppliers

Pentafluoropropionyl chloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C
• Hazard Codes: C
• Statements: 34
• Safety Statements: 23-26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Pentafluoropropionyl chloride

There total 4 articles about Pentafluoropropionyl chloride 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: 99.0%

3,3-dichloro-1,1,1,2,2-pentafluoropropane (422-56-0) → 2,2,3,3,3-pentafluoropropionyl chloride (422-59-3)

Guidance literature:

In chlorine;

Reference yield:

pentafluoropropionic acid (422-64-0) → 2,2,3,3,3-pentafluoropropionyl chloride (422-59-3)

Guidance literature:

With phosphorus pentachloride;

DOI:10.1021/ja01136a010

Reference yield:

pentafluoropropionic acid (422-64-0) + benzoyl chloride (98-88-4) → 2,2,3,3,3-pentafluoropropionyl chloride (422-59-3)

Guidance literature:

DOI:10.1021/ja01103a026 DOI:10.1039/jr9530001548

upstream raw materials:

pentafluoropropionic acid

benzoyl chloride

3,3-dichloro-1,1,1,2,2-pentafluoropropane

Downstream raw materials:

pentafluoropropionic acid

hydroxy-pentafluoroethyl-malonic acid diamide

pentafluoroethyl phenyl ketone

2,2,3,3,3-pentafluoro-1-(p-tolyl)propan-1-one

Refernces

• 1、 Gorbunova, Marine G.,Gerus, Igor I.,Kukhar, Valery P.. "Synthesis and properties of β-ethoxyvinyl polyfluoroalkyl ketones". . p. 738 - 742. Retrieved 2007/10/03.
• 2、 -. "Process for omega-halo-perfluoro acid chlorides". . . Retrieved 2008/06/13.