Chlorofluoroacetic acid

Base Information

• Chemical Name: Chlorofluoroacetic acid
• CAS No.: 471-44-3
• Molecular Formula: C2H2 Cl F O2
• Molecular Weight: 112.488
• Hs Code.: 2915900090
• European Community (EC) Number: 687-915-4
• NSC Number: 95117
• DSSTox Substance ID: DTXSID40870547
• Nikkaji Number: J1.021.305C
• Mol file: 471-44-3.mol

Synonyms:chlorofluoroacetic acid

Chemical Property of Chlorofluoroacetic acid

Chemical Property:

• Vapor Pressure: 1.14mmHg at 25°C
• Melting Point: 150-153 °C
• Refractive Index: 1.4085
• Boiling Point: 162°Cat760mmHg
• PKA: 1.51±0.10(Predicted)
• Flash Point: 58.6°C
• PSA: 37.30000
• Density: 1.532g/cm³
• LogP: 0.60540
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 111.9727352
• Heavy Atom Count: 6
• Complexity: 64.6

Purity/Quality:

98%min ^*data from raw suppliers

ChlorofluoroaceticAcid ^*data from reagent suppliers

Safty Information:

• Hazard Codes: C,Xi
• Statements: 20/21/22-35
• Safety Statements: 26-36/37/39-45

MSDS Files:

Useful:

• Canonical SMILES: C(C(=O)O)(F)Cl
• Uses: Chlorofluoroacetic Acid is a herbicide containing dicamba for gramineous lawns.

Technology Process of Chlorofluoroacetic acid

There total 2 articles about Chlorofluoroacetic 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-Chloro-1,1,2-trifluoroethyl α-D-glucopyranoside (120205-40-5) → alpha-D-glucopyranose (492-62-6) + chlorofluoroacetic acid (471-44-3)

Guidance literature:

With water; at 37 ℃; Mechanism; Rate constant; yeast α-glucosidase (enzyme-catalyzed hydrolysis);

DOI:10.1021/ja00191a085

Reference yield:

→ chlorofluoroacetic acid (471-44-3) + ethyl chlorofluoroacetate (401-56-9,96290-79-8)

Guidance literature:

With sulfuric acid;

Reference yield: 76.0%

chlorofluoroacetic acid (471-44-3) + (-)-menthol (2216-51-5) → Chloro-fluoro-acetic acid (1R,2S,5R)-2-isopropyl-5-methyl-cyclohexyl ester

Guidance literature:

With dmap; dicyclohexyl-carbodiimide; at 100 ℃; for 3h;

DOI:10.1055/s-2001-14605

upstream raw materials:

2-Chloro-1,1,2-trifluoroethyl α-D-glucopyranoside

Refernces