Trifluoroacetyl chloride

Base Information

• Chemical Name: Trifluoroacetyl chloride
• CAS No.: 354-32-5
• Molecular Formula: C2Cl F3 O
• Molecular Weight: 132.47
• Hs Code.: 2915900090
• European Community (EC) Number: 206-556-2
• UN Number: 3057
• UNII: A23U71SY9G
• DSSTox Substance ID: DTXSID1029176
• Nikkaji Number: J38.904H
• Wikipedia: Trifluoroacetyl_chloride
• Wikidata: Q2453085
• Mol file: 354-32-5.mol

Synonyms:TFA chloride;trifluoroacetyl chloride

Chemical Property of Trifluoroacetyl chloride

Chemical Property:

• Vapor Pressure: 3760mmHg at 25°C
• Melting Point: -146ºC
• Refractive Index: 1.309
• Boiling Point: -27ºC
• Flash Point: 25.1°C
• PSA: 17.07000
• Density: 1,335 g/cm3
• LogP: 1.31410
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 131.9589768
• Heavy Atom Count: 7
• Complexity: 85.4
• Transport DOT Label: Poison Gas Corrosive

Purity/Quality:

98% ^*data from raw suppliers

Trifluoroacetyl chloride 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C
• Hazard Codes: C
• Statements: 14-35-37
• Safety Statements: 26-36/37/39-45

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Toxic Gases & Vapors -> Acid Halides
• Canonical SMILES: C(=O)(C(F)(F)F)Cl
• Uses: Widely used in medicine, pesticides, organic intermediate and fine chemical.

Technology Process of Trifluoroacetyl chloride

There total 33 articles about Trifluoroacetyl chloride 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: 100.0%

2,2,2-Trifluoroacetaldehyde (75-90-1) → trifluoracetyl chloride (354-32-5)

Guidance literature:

Reference yield: 94.0%

trifluoroacetic anhydride (407-25-0) → trifluoracetyl chloride (354-32-5)

Guidance literature:

With 1-methyl-1H-imidazole; diethyl chlorophosphate;

Reference yield: 91.0%

chloro-trimethyl-silane (75-77-4) + C6H9F3O4S (72500-13-1) → trifluoracetyl chloride (354-32-5) + Trimethylsilyl-1-butansulfonat (72500-12-0)

Guidance literature:

for 24h; Ambient temperature;

upstream raw materials:

1,1,1-trifluoro-2,2-dichloroethane

benzoyl chloride

trifluoroacetic acid

Benzotrichlorid

Downstream raw materials:

N-ethyl-2,2,2-trifluoro-N-phenylacetamide

2,2,2-trifluoro-1-(p-tolyl)ethanone

2,5-bis(trifluoromethyl)-1,3,4-oxadiazole

2,2,2-trifluoro-N-methyl-N-(2,2,2-trifluoroacetyl)acetamide

Refernces

• 1、 Yanes, Carlos,Torres, Manuel,Lopez-Rodriguez, Matias,Nunez, Pedro,Brito, Ivan. "N-(5-nitro-2-pyrrolidinylphenyl)trifluoro-acetamide". . p. 492 - 493. Retrieved 1997.
• 2、 Anderson, Arthur G. Jr.,Davidson, Ernest R.,Daugs, Edward D.,Kao, L. Glenn,Lindquist, Richard L.,Quenemoen, Kristine A.. "Dicyclopentaheptalene (Azupyrene) Chemistry. Electrophilic Monosubstitution. Theory and Experiment". . p. 1896 - 1899. Retrieved 1985.
• 3、 Barlow, Michael G.,Bell, David,O'Reilly, Neil J.,Tipping, Anthony E.. "The Preparation and Some Reactions of 2,5-Dichloro-1,1,1,6,6,6-hexafluoro-3,4-diazahexa-2,4-diene". . p. 293 - 300. Retrieved 1983.
• 4、 Kaur, Gurinderjit,Kaur, Harleen,Kaur, Pardeep,Sharma, Sunita,Singh, Ravneet. "Synthesis and Fungitoxic Evaluation of Acylamino-1,2,4-Triazoles". . p. 389 - 395. Retrieved 2021/11/22.
• 5、 -. "Photooxidation preparation method of haloacetyl chloride". Paragraph 0022; 0025; 0034-0037. . Retrieved 2019/01/24.