2,2-Dichloro-3,3,3-trifluoropropionic acid

Base Information

• Chemical Name: 2,2-Dichloro-3,3,3-trifluoropropionic acid
• CAS No.: 422-39-9
• Molecular Formula: C₃HCl₂F₃O₂
• Molecular Weight: 196.941
• Hs Code.: 2915900090
• European Community (EC) Number: 636-981-2
• DSSTox Substance ID: DTXSID50546564
• Wikidata: Q82424433
• Mol file: 422-39-9.mol

Synonyms:2,2-Dichloro-3,3,3-trifluoropropionic acid;422-39-9;2,2-dichloro-3,3,3-trifluoropropanoic acid;SCHEMBL10454353;DTXSID50546564;OEOQSGPFZFSHBS-UHFFFAOYSA-N;MFCD08146633;AKOS005254461;CS-0452334;2,2-Dichloro-3,3,3-trifluoropropionic acid, 97%

Chemical Property of 2,2-Dichloro-3,3,3-trifluoropropionic acid

Chemical Property:

• Vapor Pressure: 1.79mmHg at 25°C
• Melting Point: 26-34 °C
• Refractive Index: 1.408
• Boiling Point: 56 °C
• Flash Point: 195°C
• PSA: 37.30000
• Density: 1.33g/cm³
• LogP: 1.80720
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 195.9305691
• Heavy Atom Count: 10
• Complexity: 152

Purity/Quality:

98%min ^*data from raw suppliers

2,2-Dichloro-3,3,3-trifluoropropionic acid ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi,C
• Statements: 34
• Safety Statements: 26-36/37/39-45

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

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

Technology Process of 2,2-Dichloro-3,3,3-trifluoropropionic acid

There total 3 articles about 2,2-Dichloro-3,3,3-trifluoropropionic 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:

1,1,1-Trichloro-2,2,2-trifluoroethane (354-58-5) + carbon dioxide (124-38-9,18923-20-1) → 2,2-dichloro-3,3,3-trifluoropropionic acid (422-39-9)

Guidance literature:

1,1,1-Trichloro-2,2,2-trifluoroethane; With zinc; In N,N-dimethyl-formamide; at 20 ℃; for 1h;

carbon dioxide; In N,N-dimethyl-formamide; for 18h;

DOI:10.1016/S0968-0896(99)00091-7

Reference yield:

1,1,1-Trichloro-2,2,2-trifluoroethane (354-58-5) + carbon dioxide (124-38-9,18923-20-1) → 2,2-dichloro-3,3,3-trifluoropropionic acid (422-39-9) + 2-chloro-3,3,3-trifluoropropanoic acid (110230-36-9)

Guidance literature:

With water; hydrogen cation; zinc; In N,N-dimethyl-formamide; for 6h; irradiated by ultrasound;

DOI:10.1016/S0022-1139(00)85074-5

Reference yield:

2,2-dichloro-3,3,3-trifluoro-propionyl chloride (422-36-6) → 2,2-dichloro-3,3,3-trifluoropropionic acid (422-39-9)

Guidance literature:

DOI:10.1021/jo01108a018

upstream raw materials:

2,2-dichloro-3,3,3-trifluoro-propionyl chloride

1,1,1-Trichloro-2,2,2-trifluoroethane

carbon dioxide

Refernces