2-Bromo-2,3,3,3-tetrafluoropropanoic acid

Base Information

• Chemical Name: 2-Bromo-2,3,3,3-tetrafluoropropanoic acid
• CAS No.: 13859-31-9
• Molecular Formula: C₃HBrF₄O₂
• Molecular Weight: 224.937
• Hs Code.: 2915900090
• DSSTox Substance ID: DTXSID90382100
• Nikkaji Number: J984.739A
• Mol file: 13859-31-9.mol

Synonyms:2-bromo-2,3,3,3-tetrafluoropropanoic acid;13859-31-9;2-Bromotetrafluoropropionic acid;2-Bromo-2,3,3,3-tetrafluoropropionic acid;SCHEMBL4850674;DTXSID90382100;QUWQIQACQOVGDT-UHFFFAOYSA-N;MFCD02183518;AKOS015833919;2-Bromotetrafluoropropionic acidA223.95;2-bromo-2,3,3,3-tetrafluoropropanoicacid;CS-0328810;FT-0676433;A807409;2-bromanyl-2,3,3,3-tetrakis(fluoranyl)propanoic acid;2-Bromo-2,3,3,3-tetrafluoropropanoic acid, AldrichCPR

Chemical Property of 2-Bromo-2,3,3,3-tetrafluoropropanoic acid

Chemical Property:

• Vapor Pressure: 3.29mmHg at 25°C
• Refractive Index: 1.394
• Boiling Point: 60
• Flash Point: 39.5°C
• PSA: 37.30000
• Density: 2.087g/cm³
• LogP: 1.69400
• XLogP3: 2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 1
• Exact Mass: 223.90960
• Heavy Atom Count: 10
• Complexity: 155

Purity/Quality:

97% ^*data from raw suppliers

2-BromotetrafluoropropionicAcid ^*data from reagent suppliers

Safty Information:

• Hazard Codes: C,Xi

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2-Bromo-2,3,3,3-tetrafluoropropanoic acid

There total 4 articles about 2-Bromo-2,3,3,3-tetrafluoropropanoic 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: 47.2%

1,1-dibromo-1,2,2,2-tetrafluoroethane (27336-23-8) + carbon dioxide (124-38-9,18923-20-1) → 2,3,3,3-tetrafluoropropionic acid (359-49-9) + 2-bromo-2,3,3,3-tetrafluoro-propionic acid (13859-31-9)

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:

2,3,3,3-tetrafluoropropionic acid (359-49-9) → 2-bromo-2,3,3,3-tetrafluoro-propionic acid (13859-31-9)

Guidance literature:

With bromine; In 1,2-dichloro-ethane; at 30 - 85 ℃; for 0.5h; under 760.051 Torr; Solvent; Temperature; Reagent/catalyst;

Reference yield:

2,3,3,3-tetrafluoro-2-bromopropanoyl fluoride (6129-62-0) → 2-bromo-2,3,3,3-tetrafluoro-propionic acid (13859-31-9)

Guidance literature:

With water; In tetrahydrofuran; for 5h; Yield given; Ambient temperature;

upstream raw materials:

Hexafluoropropene oxide

1,1-dibromo-1,2,2,2-tetrafluoroethane

carbon dioxide

2,3,3,3-tetrafluoro-2-bromopropanoyl fluoride

Downstream raw materials:

2-bromo-2,3,3,3-tetrafluoropropionic acid ethyl ester