Difluoroacetic acid

Base Information

• Chemical Name: Difluoroacetic acid
• CAS No.: 381-73-7
• Deprecated CAS: 1537910-57-8
• Molecular Formula: C2H2F2O2
• Molecular Weight: 96.0335
• Hs Code.: 29159080
• European Community (EC) Number: 206-839-0
• UNII: ZQK1C95K3N
• DSSTox Substance ID: DTXSID2059932
• Nikkaji Number: J54.208C
• Wikipedia: Difluoroacetic_acid
• Wikidata: Q15126139
• Metabolomics Workbench ID: 53916
• ChEMBL ID: CHEMBL453969
• Mol file: 381-73-7.mol

Synonyms:difluoroacetate;difluoroacetic acid;difluoroacetic acid, 2-(14)C-labeled;difluoroacetic acid, ammonium salt;difluoroacetic acid, copper (+1) salt;difluoroacetic acid, copper (+2) salt;difluoroacetic acid, lead (+4) salt;difluoroacetic acid, silver (+1) salt;difluoroacetic acid, sodium salt;sodium difluoroacetate

Chemical Property of Difluoroacetic acid

Chemical Property:

• Appearance/Colour: colorless to pale yellow transparent liquid
• Vapor Pressure: 0.001mmHg at 25°C
• Melting Point: -1 °C
• Refractive Index: n20/D 1.344(lit.)
• Boiling Point: 136.137 °C at 760 mmHg
• PKA: pK1:1.33 (25°C)
• Flash Point: 36.135 °C
• PSA: 37.30000
• Density: 1.424 g/cm³
• LogP: 0.33610
• Storage Temp.: 2-8°C
• Solubility.: 540.54g/L in organic solvents at 20 ℃
• Water Solubility.: 1000g/L at 37℃
• XLogP3: 0.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 96.00228563
• Heavy Atom Count: 6
• Complexity: 60.6

Purity/Quality:

99% ^*data from raw suppliers

Difluoroacetic acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C
• Hazard Codes: C
• Statements: 34-35
• Safety Statements: 26-36/37/39-45

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C(C(=O)O)(F)F
• Uses: Used in the preparation of 2-difluoromethylbenzimidazoles, -oxazoles and -thiazoles from ortho-substituted anilines mediated by triphenylphoshine.

Technology Process of Difluoroacetic acid

There total 51 articles about Difluoroacetic 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: 99.0%

ethyl difluoroacetate (454-31-9) + trifluoroacetic acid (76-05-1) → Difluoroacetic acid (381-73-7) + ethyl trifluoroacetate, (383-63-1)

Guidance literature:

at 85 ℃; Product distribution / selectivity;

Reference yield: 96.0%

dichloro-acetic acid (79-43-6) → Difluoroacetic acid (381-73-7)

Guidance literature:

With potassium fluoride; In water; at 120 ℃; for 1h; Concentration; Solvent; Temperature; Time; Reagent/catalyst;

Reference yield: 96.0%

formic acid (64-18-6) + ethyl difluoroacetate (454-31-9) → Difluoroacetic acid (381-73-7) + formic acid ethyl ester (109-94-4)

Guidance literature:

sulfuric acid; at 70 ℃; Product distribution / selectivity;

upstream raw materials:

2,2-difluoroethyl ethyl ether

1,2-dichloro-3,3-difluoro-1-propene

1,1-difluoro-2-iodoethane

2,2-difluoroethyl methyl ether

Downstream raw materials:

Difluoroacetyl D-threo amphenicol

2,4-Dinitrophenol

2,2-difluoroacetate

(R_S)-3,3-difluoro-1-<(4-methylphenyl)sulphinyl>-4,4,4-trifluoro-butane-2,2-diol

Refernces

• 1、 -. "Synthesis process of difluoroacetic acid". Paragraph 0022; 0024-0025; 0027-0028; 0030-0031; 0033; .... . Retrieved 2021/11/14.
• 2、 -. "Synthetic method of difluoroacetic acid". Paragraph 0021-0039. . Retrieved 2021/03/24.