Trifluoroacetonitrile

Base Information

• Chemical Name: Trifluoroacetonitrile
• CAS No.: 353-85-5
• Deprecated CAS: 1800084-93-8
• Molecular Formula: C2F3N
• Molecular Weight: 95.0239
• Hs Code.: 2926909090
• European Community (EC) Number: 206-542-6
• DSSTox Substance ID: DTXSID1059862
• Nikkaji Number: J102.044G
• Wikipedia: Trifluoroacetonitrile
• Wikidata: Q31835495
• Mol file: 353-85-5.mol

Synonyms:Trifluoroacetonitrile;353-85-5;2,2,2-trifluoroacetonitrile;Cyanotrifluoromethane;Acetonitrile, trifluoro-;C2F3N;Acetonitrile, 2,2,2-trifluoro-;EINECS 206-542-6;MFCD00039478;trifluoroethanenitrile;trifluoroaceto-nitrile;CF3CN;Trifluoroacetonitrile, 99%;DTXSID1059862;AKOS005258524;Q31835495

Chemical Property of Trifluoroacetonitrile

Chemical Property:

• Appearance/Colour: colorless gas
• Vapor Pressure: 0.231mmHg at 25°C
• Melting Point: -144.42°C
• Refractive Index: 1.56
• Boiling Point: -63.994 °C at 760 mmHg
• Flash Point: -84.9 °C
• PSA: 23.79000
• Density: 1.332 g/cm³
• LogP: 1.07228
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 94.99828349
• Heavy Atom Count: 6
• Complexity: 82.7

Purity/Quality:

99%, ^*data from raw suppliers

Trifluoroacetonitrile 99% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): T+,T
• Hazard Codes: T+,T
• Statements: 26
• Safety Statements: 38

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Nitrogen Compounds -> Nitriles
• Canonical SMILES: C(#N)C(F)(F)F

Technology Process of Trifluoroacetonitrile

There total 49 articles about Trifluoroacetonitrile 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: 99.1%

2,2,2-trifluoroacetamide (354-38-1) → trifluoroacetonitrile (353-85-5)

Guidance literature:

With copper(II) oxide; at 400 ℃; for 10h; under 750.075 Torr; Gas phase;

Reference yield: 96.0%

acetonitrile (75-05-8,26809-02-9) → trifluoroacetonitrile (353-85-5)

Guidance literature:

With fluorine; at 5 ℃; Electrolysis; Large scale;

Reference yield: 80.0%

bromocyane (506-68-3) + C7H18B4F3N2(1-)*K(1+) → trifluoroacetonitrile (353-85-5)

Guidance literature:

In dimethyl sulfoxide; at 25 ℃; for 0.0833333h;

upstream raw materials:

2,2,2-trifluoroacetamide

trichloroacetonitrile

acetonitrile

trifluoracetyl chloride

Downstream raw materials:

2,2,2-trifluoro-1-(1-methyl-1H-indol-3-yl)ethan-1-one

2,2,2-trifluoro-1-(7-methyl-1H-indol-3-yl)-ethanone

2,2,2-trifluoro-1-(2-hydroxy-4,5-dimethoxy-phenyl)-ethanone

2-methyl-6-(trifluoromethyl)pyridine

Refernces

• 1、 Buerger, H.,Koeplin, R.,Pawelke, G.,Krueger, C.. "REACTION OF PERFLUOROTRIMETHYLAMINE WITH ANTIMONY PENTAFLUORIDE. SYNTHESIS AND X-RAY STRUCTURE OF A PERFLUORINATED HEXAHYDRO-TRIAZINEDIONE DERIVATIVE". . p. 175 - 184. Retrieved 1983.
• 2、 Mitsch,R.A.,Neuvar,E.W.. "". . p. 3675 - 3678. Retrieved 1968.
• 3、 Sosnovskikh, Vyacheslav Ya,Usachev, Boris I,R?schenthaler, Gerd-Volker. "Reactions of aromatic methyl ketimines with halonitriles as a new route to pyrimidines with two polyhaloalkyl groups". . p. 1375 - 1379. Retrieved 2002.
• 4、 Toby et al.. "". . p. 4441. Retrieved 1972.
• 5、 Banks,R.E. et al.. "". . p. 2119 - 2123. Retrieved 1969.
• 6、 Crawford, Margaret-J.,Klap?tke, Thomas M.,Radies, Hendrik. "Synthesis and characterization of perfluorinated nitriles and the corresponding sodium 5-perfluoroalkyltetrazolate salts". . p. 1199 - 1205. Retrieved 2008.
• 7、 Lane,Oexler,Staricco. "KINETICS OF THE HYDROGEN ABSTRACTION FROM HYDROGEN CYANIDE BY TRIFLUOROMETHYL RADICALS.". . p. 158 - 161. Retrieved 1983.
• 8、 -. "Preparation method of trifluoroacetamidine". Paragraph 0023-0031. . Retrieved 2021/04/17.
• 9、 -. "Process for fluorinating inorganic or organic compounds by direct fluorination". Paragraph 0259-0260; 0265-0274. . Retrieved 2020/07/14.