Trifluoroacetate

Base Information

• Chemical Name: Trifluoroacetate
• CAS No.: 14477-72-6
• Molecular Formula: C2F3 O2
• Molecular Weight: 113.016
• UNII: MH3TVL33EZ
• DSSTox Substance ID: DTXSID60162799
• Nikkaji Number: J317.059D
• Wikidata: Q27109936
• Mol file: 14477-72-6.mol

Synonyms:Acid, Trifluoroacetic;Cesium Trifluoroacetate;Trifluoroacetate;Trifluoroacetate, Cesium;Trifluoroacetic Acid

Chemical Property of Trifluoroacetate

Chemical Property:

• Vapor Pressure: 96.2mmHg at 25°C
• Boiling Point: 72.2°Cat760mmHg
• Flash Point: °C
• PSA: 40.13000
• Density: g/cm³
• LogP: -0.70140
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 0
• Exact Mass: 112.98503872
• Heavy Atom Count: 7
• Complexity: 77.9

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C(=O)(C(F)(F)F)[O-]

Technology Process of Trifluoroacetate

There total 34 articles about Trifluoroacetate 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:

1-(3-Carboxy-4-nitro-phenylamino)-2,2,2-trifluoro-1-hydroxy-ethanol anion → trifluoroacetate (14477-72-6) + 5-amino-2-nitrobenzoic acid (13280-60-9)

Guidance literature:

With hydroxide; poliethylenimine; Rate constant; Mechanism; further polyethylenimines;

DOI:10.1021/ja00320a025

Reference yield:

1,1,1-trifluoro-2-bromo-2-chloroethane (151-67-7) → formaldehyd (50-00-0,30525-89-4,61233-19-0) + trifluoroacetate (14477-72-6)

Guidance literature:

With Pt on TiO₂; In methanol; for 1h; Product distribution; Mechanism; Quantum yield; Irradiation; pH 11.5; reactions under var. condition;

DOI:10.1021/j100298a014

Reference yield:

trifluoroacetic acid-methyl ester (431-47-0) + trifluoromethanide (54128-17-5) → 2,2,2-trifluoroethanol (420-46-2) + trifluoroacetate (14477-72-6)

Guidance literature:

In gas; Rate constant; Thermodynamic data; ΔH⁰, nucleophilic reactions of F3C^- at sp² and sp³ carbon in the gas phase, competitive reactions;

DOI:10.1021/ja00363a010

upstream raw materials:

trifluoroacetic acid-methyl ester

allyl anion

trifluoromethanide

diphenylcarbene

Downstream raw materials:

allyl trifluoroacetate

[Rh(2,3,7,8,12,13,17,18-octaethylporphyrin)Cl(C₅H₄NCH₂NH₂CH₂C₆H₄CMe₃)](CF₃COO)*(dibenzo-24-crown-8)

[Rh(5,10,15,20-tetraphenylporphyrin)Cl(C₅H₄NCH₂NH₂CH₂C₆H₄CMe₃)](CF₃COO)*(dibenzo-24-crown-8)

Refernces

• 1、 Graul, Susan T.,Carpenter, Catherine J.,Bushnell, John E.,Van Koppen, Petra A. M.,Bowers, Michael T.. "Internal excitation in the products of nucleophilic substitution from the dissociation of metastable ion complexes". . p. 6785 - 6796. Retrieved 1998.
• 2、 Gatev, Geo G.,Zhong, Meili,Brauman, John I.. "Gas-phase ionic reactions of benzyl and methoxide anions". . p. 531 - 536. Retrieved 2007/10/03.