Trifluoroacetic acid-d

Base Information

• Chemical Name: Trifluoroacetic acid-d
• CAS No.: 599-00-8
• Molecular Formula: C2DF3O2
• Molecular Weight: 115.016
• Hs Code.: 28459000
• European Community (EC) Number: 209-961-2
• DSSTox Substance ID: DTXSID00893070
• Nikkaji Number: J208.979C
• Wikidata: Q60729718
• Mol file: 599-00-8.mol

Synonyms:Trifluoroacetic acid-d;599-00-8;deuterio 2,2,2-trifluoroacetate;Deuterotrifluoroacetic acid;TFA-d;CF3COOD;Acetic acid-d, trifluoro-;deuterated trifluoroacetic acid;Acetic acid-d, 2,2,2-trifluoro-;EINECS 209-961-2;MFCD00044563;Trifluoroacetic (2H)acid;Trifluoroacetic [2H]acid;C2DF3O2;Trifluoroacetic acid-d (TFA-d);C2-D-F3-O2;Trifluoroacetic acid-d, 99.5 atom % D;Acetic acid-d,2,2,2-trifluoro-;trifluoroacetic acid-d1;deuteriotrifluoroacetic acid;Trifluoro(O-2H)acetic acid;SCHEMBL1751205;2,2,2-trifluoro-Acetic acid-d;DTXSID00893070;CHEBI:193050;Trifluoroacetic acid D1 >99.5%;CS-CE-00812;AKOS025310430;Trifluoroacetic acid-d, 99 atom % D;MS-20859;T0597;E79240;J-525088;Q60729718

Chemical Property of Trifluoroacetic acid-d

Chemical Property:

• Appearance/Colour: clear colorless liquid
• Vapor Pressure: 96.18mmHg at 25°C
• Melting Point: -15 °C
• Refractive Index: n20/D 1.3(lit.)
• Boiling Point: 72.2 °C at 760 mmHg
• Flash Point: 72 °C
• PSA: 37.30000
• Density: 1.585 g/cm³
• LogP: 0.63330
• Storage Temp.: Storage temperature: no restrictions.
• Sensitive.: Hygroscopic
• Water Solubility.: Soluble in water.
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 0
• Exact Mass: 114.99914050
• Heavy Atom Count: 7
• Complexity: 83.4

Purity/Quality:

98%,99%, ^*data from raw suppliers

Trifluoroacetic Acid-d ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C
• Hazard Codes: C
• Statements: 20-35-52/53
• Safety Statements: 9-26-27-28-45-61

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Other Classes -> Organic Acids
• Canonical SMILES: C(=O)(C(F)(F)F)O
• Isomeric SMILES: [2H]OC(=O)C(F)(F)F
• Uses: Trifluoroacetic acid-d may be employed as solvent to investigate the conformations of cyclic peptides by proton NMR spectra. It may be used to compose NMR solvent mixture to investigate the NMR spectra of high molecular weight polyesters such as polyglycolide (PG) and poly(ethylene terephthalate) (PET). Trifluoroacetic acid-d may be used as a 1H NMR and 13C NMR solvent.

Technology Process of Trifluoroacetic acid-d

There total 3 articles about Trifluoroacetic acid-d 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%

trifluoroacetic anhydride (407-25-0) → trifluoroacetic acid-d1 (599-00-8)

Guidance literature:

With water-d2; at -78 ℃;

DOI:10.1021/ja00416a012

Reference yield:

trifluoroacetic acid (76-05-1) → trifluoroacetic acid-d1 (599-00-8)

Guidance literature:

With water-d2; at -40 ℃;

DOI:10.1007/BF00504407

Reference yield:

→ trifluoroacetic acid-d1 (599-00-8)

Guidance literature:

DOI:10.1002/jlcr.2580140512 DOI:10.1007/BF00923489 DOI:10.1021/jf60191a019 DOI:10.1021/jo01263a076 DOI:10.1021/jo00966a023

upstream raw materials:

trifluoroacetic anhydride

trifluoroacetic acid

Downstream raw materials:

2-methylnorborn-2-ene

Trifluoro-acetic acid 1-methyl-bicyclo[2.2.1]hept-2-yl ester

Trifluoro-acetate5-hydroxy-1,2-bis-methoxycarbonyl-3-phenyl-pyrrolo[2,1,5-de]quinolizinylium;

Trifluoro-acetate3-hydroxy-1,2-bis-methoxycarbonyl-5-phenyl-pyrrolo[2,1,5-de]quinolizinylium;

Refernces

• 1、 Fritz, Hans,Lehmann, Jochen,Schmidt-Schuchardt, Markus,Weiser, Wolfgang. "Synthesis of 4,8-anhydro-2,3-dideoxy-D-galacto- and -D-gluco-non-3-enose dimetthyl acetal and their use as new probes for determining by 1H-n.m.r. spectroscopy the steric course of protonation by glycoside hydrolases". . p. 129 - 142. Retrieved 1991.
• 2、 Taylor,Templeman. "-". . p. 2950,2953. Retrieved 1956.
• 3、 Nordblum,Miller. "". . p. 57. Retrieved 1974.
• 4、 Stack, Douglas E.,Ritonya, Justin,Jakopovic, Scott,Maloley-Lewis, Brittney. "Regioselective deuterium labeling of estrone and catechol estrogen metabolites". . p. 32 - 38. Retrieved 2015/01/08.