Fluoroacetic acid

Base Information

• Chemical Name: Fluoroacetic acid
• CAS No.: 144-49-0
• Deprecated CAS: 9074-77-5
• Molecular Formula: C2H3FO2
• Molecular Weight: 78.043
• Hs Code.: 2915900090
• European Community (EC) Number: 205-631-7
• ICSC Number: 0274
• UN Number: 2642
• UNII: AP1JV9U41M
• DSSTox Substance ID: DTXSID0041981
• Nikkaji Number: J2.550J
• Wikipedia: Fluoroacetic_acid
• Wikidata: Q420215,Q83073425
• Metabolomics Workbench ID: 52017
• ChEMBL ID: CHEMBL509273
• Mol file: 144-49-0.mol

Synonyms:Compound 1080;fluoroacetic acid;fluoroacetic acid, 18F-labeled;fluoroacetic acid, aluminum salt;fluoroacetic acid, ammonium salt;fluoroacetic acid, ammonium salt, 2-(14)C-labeled;fluoroacetic acid, barium salt;fluoroacetic acid, cadmium salt;fluoroacetic acid, calcium salt;fluoroacetic acid, copper (2+) salt;fluoroacetic acid, lead (+4) salt;fluoroacetic acid, magnesium salt;fluoroacetic acid, mercury (2+) salt;fluoroacetic acid, potassium salt;fluoroacetic acid, sodium salt;fluoroacetic acid, terbium (+3) salt;monofluoroacetate;monofluoroacetic acid;sodium (18F)fluoroacetate;sodium fluoroacetate

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Chemical Property of Fluoroacetic acid

Chemical Property:

• Vapor Pressure: 0.828mmHg at 25°C
• Melting Point: 33 °C
• Refractive Index: 1.344
• Boiling Point: 167.903 °C at 760 mmHg
• PKA: 2.6(at 25℃)
• Flash Point: 55.346 °C
• PSA: 37.30000
• Density: 1.266 g/cm³
• LogP: 0.04050
• Water Solubility.: 50mg/L(20 oC)
• XLogP3: 0.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 78.01170750
• Heavy Atom Count: 5
• Complexity: 42.9
• Transport DOT Label: Poison

Purity/Quality:

Safty Information:

• Pictogram(s): T+,N
• Hazard Codes: T+,N
• Statements: 20/21/22-35-50-28
• Safety Statements: 26-36/37/39-45-61-22-20

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Other Classes -> Organic Acids
• Canonical SMILES: C(C(=O)O)F
• Recent ClinicalTrials: Evaluation of Efficacy and Safety of E004 in Children With Asthma
• Inhalation Risk: Evaporation at 20 °C is negligible; a harmful concentration of airborne particles can, however, be reached quickly on spraying or when dispersed, especially if powdered.
• Effects of Short Term Exposure: The substance is corrosive to the eyes, skin and respiratory tract. Corrosive on ingestion. The substance may cause effects on the cardiovascular system, central nervous system and kidneys. This may result in impaired functions including cardiac and renal failure. The effects may be delayed. Medical observation is indicated. Exposure could cause death.
• Effects of Long Term Exposure: The substance may have effects on the testes and heart.
• Uses: Fluoroacetic acid (CH2FCOOH) is very poisonous. It is used to kill rats and mice. Rodenticide.

Technology Process of Fluoroacetic acid

There total 29 articles about Fluoroacetic 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: 95.0%

ethyl 2-fluoroacetate (459-72-3) → Fluoroacetic acid (144-49-0)

Guidance literature:

ethyl 2-fluoroacetate; With sodium hydroxide; In ethanol; water; at 20 ℃; for 20h;

With hydrogenchloride; In water;

DOI:10.1002/ejoc.201301614

Reference yield: 41.0%

glycine (56-40-6,18875-39-3,25718-94-9) → Fluoroacetic acid (144-49-0)

Guidance literature:

With pyridinium polyhydrogen fluoride; sodium nitrite; for 5h; Ambient temperature;

DOI:10.1002/hlca.19810640806

Reference yield: 26.0%

tert-butyl α-fluoroacetate (406-74-6) + isobutyraldehyde (78-84-2) → Fluoroacetic acid (144-49-0) + acide methyl-4 fluoro-2 pentenoique-2 (24116-73-2) + (E)-2-Fluoro-4-methyl-pent-2-enoic acid tert-butyl ester (116761-04-7) + (Z)-2-Fluoro-4-methyl-pent-2-enoic acid tert-butyl ester (116761-04-7)

Guidance literature:

With potassium tert-butylate; In tert-butyl alcohol; 1.) 18-20 deg C, 15-20 min; 2.)ether, 25 h;

upstream raw materials:

fluoroacetonitrile

2-fluoroethanol

fluoroacetamide

methyl fluoroacetate

Downstream raw materials:

n-propyl fluoroacetate

fluoro-acetic acid-(2-fluoro-ethyl ester)

fluoroacetyl fluoride

monofluoroacetyl chloride

Refernces

• 1、 Lyth, E.,Ng, L. M.. "Surface Chemistry of Perfluoroether: A Study of the Reaction Mechanism of (C2F5)2O with an Al2O3 Surface by FTIR Spectroscopy". . p. 17615 - 17623. Retrieved 1995.
• 2、 -. "Compound for inhibiting three-mutant epidermal growth factor receptor tyrosine kinase and application thereof". Paragraph 0039; 0073; 0074; 0105-0107. . Retrieved 2021/09/15.
• 3、 Albler, Christopher,Schmid, Walther. "Synthetic routes towards fluorine-containing amino sugars: Synthesis of fluorinated analogues of tomosamine and 4-amino-4-deoxyarabinose". . p. 2451 - 2459. Retrieved 2014/05/06.