Chlorodifluoroacetic acid

Base Information

• Chemical Name: Chlorodifluoroacetic acid
• CAS No.: 76-04-0
• Molecular Formula: C2HClF2O2
• Molecular Weight: 130.479
• Hs Code.: 29159080
• European Community (EC) Number: 200-928-8
• NSC Number: 60298
• DSSTox Substance ID: DTXSID8058792
• Nikkaji Number: J5A
• Wikidata: Q72518276
• Mol file: 76-04-0.mol

Synonyms:chlorodifluoroacetic acid;chlorodifluoroacetic acid, silver salt;chlorodifluoroacetic acid, sodium salt

Chemical Property of Chlorodifluoroacetic acid

Chemical Property:

• Appearance/Colour: clear colorless to pale brown liquid after melting
• Vapor Pressure: 10.3mmHg at 25°C
• Melting Point: 20-23 °C(lit.)
• Refractive Index: n20/D 1.355(lit.)
• Boiling Point: 119.239 °C at 760 mmHg
• PKA: pK1: 0.46 (25°C)
• Flash Point: 25.915 °C
• PSA: 37.30000
• Density: 1.48 g/cm³
• LogP: 0.90260
• Storage Temp.: Inert atmosphere,Room Temperature
• Sensitive.: Lachrymatory
• Water Solubility.: soluble
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 129.9633133
• Heavy Atom Count: 7
• Complexity: 91.7

Purity/Quality:

99% ^*data from raw suppliers

Chlorodifluoroacetic Acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C
• Hazard Codes: C
• Statements: 35
• Safety Statements: 26-36/37/39-45

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Other Classes -> Organic Acids
• Canonical SMILES: C(=O)(C(F)(F)Cl)O
• Uses: It is employed as a starting material for generating difluorocarbene. It is also used as a pharmaceutical and agrochemicals intermediate.

Technology Process of Chlorodifluoroacetic acid

There total 24 articles about Chlorodifluoroacetic acid 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: 88.0%

ethyl 2-chloro-2,2-difluoroacetate (383-62-0) → carbon monoxide (201230-82-2) + 2-chloro-2,2-difluoroacetic acid (76-04-0)

Guidance literature:

With oxygen; chlorine; at 24.84 ℃; under 760.051 Torr; Temperature; Kinetics; Irradiation;

DOI:10.1039/c6ra03454c

Reference yield: 66.5%

1,1-difluorotetrachloroethane (76-11-9) → 2-chloro-2,2-difluoroacetic acid (76-04-0)

Guidance literature:

With ammonium peroxydisulfate; sodium formate; In N,N-dimethyl-formamide; at 30 ℃; for 4h;

DOI:10.1016/S0022-1139(00)80387-5

Reference yield: 55.6%

1,1,2-Trichloro-1,2,2-trifluoroethane (76-13-1) → 2-chloro-2,2-difluoroacetic acid (76-04-0)

Guidance literature:

With ammonium peroxydisulfate; sodium formate; In N,N-dimethyl-formamide; at 20 ℃; for 10h;

DOI:10.1016/S0022-1139(00)80387-5

upstream raw materials:

Difluoroacetic acid

1,1,3-trichloro-1,3,3-trifluoroacetone

chlorodifluoroacetyl fluoride

1,1,1,3-tetrachloro-3,3-difluoro-propan-2-one

Downstream raw materials:

2-chloro-2,2-difluoroacetophenone

2-chloro-1-(4-chloro-phenyl)-2,2-difluoro-ethanone

ethyl 2-chloro-2,2-difluoroacetate

chlordifluoroacetyl chloride

Refernces

• 1、 -. "Synthesis production process of difluorochloroacetic acid". Paragraph 0015-0021. . Retrieved 2017/05/10.
• 2、 -. "PENTACYCLIC ANION SALT AND USE THEREOF AS AN ELECTROLYTE". . . Retrieved 2012/01/12.