2-Chloro-2,3,3-trifluorosuccinic acid

Base Information

• Chemical Name: 2-Chloro-2,3,3-trifluorosuccinic acid
• CAS No.: 866-16-0
• Molecular Formula: C4H2 Cl F3 O4
• Molecular Weight: 206.506
• Hs Code.: 2917190090
• DSSTox Substance ID: DTXSID70596460
• Mol file: 866-16-0.mol

Synonyms:866-16-0;2-chloro-2,3,3-trifluorosuccinic acid;CHLOROTRIFLUOROSUCCINIC ACID;2-CHLORO-2,3,3-TRIFLUOROBUTANEDIOIC ACID;CHLOROTRIFLUOROSUCCINICACID;SCHEMBL8303923;DTXSID70596460;MFCD03426020;AKOS017259336;LS-09019;DB-197905;CS-0456646

Chemical Property of 2-Chloro-2,3,3-trifluorosuccinic acid

Chemical Property:

• Vapor Pressure: 0.163mmHg at 25°C
• Melting Point: 55 °C
• Refractive Index: 1.432
• Boiling Point: 197.2°C at 760 mmHg
• PKA: -0.69±0.46(Predicted)
• Flash Point: 73.1°C
• PSA: 74.60000
• Density: 1.849g/cm³
• LogP: 0.69550
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 3
• Exact Mass: 205.9593707
• Heavy Atom Count: 12
• Complexity: 230

Purity/Quality:

98%Min ^*data from raw suppliers

2-Chloro-2,3,3-trifluorosuccinic acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): R34:Causes burns.
• Hazard Codes: R34:Causes burns.
• Statements: R34:Causes burns.
• Safety Statements: S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.; S36/37/39:Wear suitabl

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2-Chloro-2,3,3-trifluorosuccinic acid

There total 1 articles about 2-Chloro-2,3,3-trifluorosuccinic 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:

Hexachlorobutadiene (87-68-3) → tetrafluorosuccinic acid (377-38-8) + chloro-trifluoro-succinic acid (866-16-0) + difluorodichlorosuccinic acid (377-34-4)

Guidance literature:

Hexachlorobutadiene; With hydrogen fluoride; at 350 ℃; for 0.00336111h; Gas phase;

With potassium permanganate; at 5 ℃; for 4h; Reagent/catalyst; Gas phase;

Reference yield: 72.0%

chloro-trifluoro-succinic acid (866-16-0) → 2,2,3-trifluorosuccinic acid (664-66-4,28812-58-0)

Guidance literature:

With zinc;

DOI:10.1021/jp984554o

Reference yield:

concentrated H2 SO4 + chloro-trifluoro-succinic acid (866-16-0) → 2,2,3-trifluorosuccinic acid (664-66-4,28812-58-0)

Guidance literature:

In 1,4-dioxane; water;

upstream raw materials:

Hexachlorobutadiene

Downstream raw materials:

2,2,3-trifluorosuccinic acid

Refernces