3-Chlorotetrafluoropropionic acid

Base Information

• Chemical Name: 3-Chlorotetrafluoropropionic acid
• CAS No.: 661-82-5
• Molecular Formula: C3HClF4O2
• Molecular Weight: 180.49
• Hs Code.: 2933990090
• European Community (EC) Number: 678-366-1
• DSSTox Substance ID: DTXSID00382111
• Wikidata: Q82173420
• Mol file: 661-82-5.mol

Synonyms:3-Chlorotetrafluoropropionic acid;661-82-5;3-chloro-2,2,3,3-tetrafluoropropanoic acid;3-CHLOROTETRAFLUOROPROPIONICACID;MFCD00153099;3-CHLOROTETRAFLUOROPROPANOIC ACID;3-Chloro-2,2,3,3-tetrafluoropropionic Acid;SCHEMBL5916988;DTXSID00382111;XJRMCFMZGRJXEZ-UHFFFAOYSA-N;STK449937;AKOS003791255;MS-20028;C2356;CS-0121213;FT-0676251;3-chlorotetrafluoropropionic acid, AldrichCPR;D89505;EN300-7387816;A835356;J-512343;3-chloranyl-2,2,3,3-tetrakis(fluoranyl)propanoic acid

Chemical Property of 3-Chlorotetrafluoropropionic acid

Chemical Property:

• Vapor Pressure: 13.7mmHg at 25°C
• Refractive Index: 1.339
• Boiling Point: 130-131oC
• PKA: 0.44±0.10(Predicted)
• Flash Point: 22.4oC
• PSA: 37.30000
• Density: 1.703g/cm3
• LogP: 1.53790
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 179.9601196
• Heavy Atom Count: 10
• Complexity: 157

Purity/Quality:

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

3-ChlorotetrafluoropropionicAcid ^*data from reagent suppliers

Safty Information:

• Hazard Codes: C,Xn
• Statements: 34-22
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 3-Chlorotetrafluoropropionic acid

There total 4 articles about 3-Chlorotetrafluoropropionic 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:

2,2,3,3-tetrafluoropropanoic acid (756-09-2) → 3-Chlor-2,2,3,3-tetrafluor-propionsaeure (661-82-5)

Guidance literature:

With chlorine; Irradiation_.im UV-Licht;

DOI:10.1021/ja01556a067

Reference yield:

tri(2,2,3,3-tetrafluoro-1,1,3-trichloropropyl) phosphate (24503-61-5) → 3-Chlor-2,2,3,3-tetrafluor-propionsaeure (661-82-5)

Guidance literature:

With water;

Reference yield:

3-chlorotetrafluoropropionyl fluoride (5930-66-5) → 3-Chlor-2,2,3,3-tetrafluor-propionsaeure (661-82-5)

Guidance literature:

With water;

upstream raw materials:

2,2,3,3-tetrafluoropropanoic acid

tri(2,2,3,3-tetrafluoro-1,1,3-trichloropropyl) phosphate

3-chlorotetrafluoropropionyl fluoride

Refernces