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CAS RN: 76-05-1 | Product Number: T0431

Trifluoroacetic Acid


Purity: >99.0%(T)
Synonyms:
  • TFA
Documents:
25G
$21.00
17   22   34  
100G
$45.00
≥40  14   ≥40 
500G
$128.00
≥40  37   ≥40 

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Product Number T0431
Purity / Analysis Method >99.0%(T)
Molecular Formula / Molecular Weight C__2HF__3O__2 = 114.02 
Physical State (20 deg.C) Liquid
Store Under Inert Gas Store under inert gas
Condition to Avoid Hygroscopic
CAS RN 76-05-1
Reaxys Registry Number 742035
PubChem Substance ID 87576383
SDBS (AIST Spectral DB) 746
Merck Index (14) 9681
MDL Number

MFCD00004169

Specifications
Appearance Colorless to Almost colorless clear liquid
Purity(Neutralization titration) min. 99.0 %
Properties (reference)
Boiling Point 73 °C
Specific Gravity (20/20) 1.49
Solubility in water Completely miscible
Solubility (miscible with) Acetone, Ether, Benzene
GHS
Pictogram Pictogram Pictogram
Signal Word Danger
Hazard Statements H301 : Toxic if swallowed.
H332 : Harmful if inhaled.
H314 : Causes severe skin burns and eye damage.
H412 : Harmful to aquatic life with long lasting effects.
H290 : May be corrosive to metals.
Precautionary Statements P501 : Dispose of contents/ container to an approved waste disposal plant.
P261 : Avoid breathing dust/ fume/ gas/ mist/ vapors/ spray.
P273 : Avoid release to the environment.
P270 : Do not eat, drink or smoke when using this product.
P234 : Keep only in original container.
P271 : Use only outdoors or in a well-ventilated area.
P264 : Wash skin thoroughly after handling.
P280 : Wear protective gloves/ protective clothing/ eye protection/ face protection.
P390 : Absorb spillage to prevent material damage.
P303 + P361 + P353 : IF ON SKIN (or hair): Take off immediately all contaminated clothing. Rinse skin with water/shower.
P301 + P330 + P331 : IF SWALLOWED: Rinse mouth. Do NOT induce vomiting.
P363 : Wash contaminated clothing before reuse.
P301 + P310 + P330 : IF SWALLOWED: Immediately call a POISON CENTER/doctor. Rinse mouth.
P304 + P340 + P310 : IF INHALED: Remove person to fresh air and keep comfortable for breathing. Immediately call a POISON CENTER/doctor.
P305 + P351 + P338 + P310 : IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing. Immediately call a POISON CENTER/doctor.
P406 : Store in corrosive resistant container with a resistant inner liner.
P405 : Store locked up.
Related Laws:
RTECS# AJ9625000
Transport Information:
UN Number (DOT-AIR) UN2699
Class (DOT-AIR) 8
Packing Group (TCI-A) I
HS Number 2915.90.1800
Application
TCI Practical Example: Electroreduction Using Hydrazine Monohydrate

TCI Practical Example: Electroreduction Using Hydrazine Monohydrate

Used Chemicals

Procedure

Trifluoroacetic acid (0.355 mL, 4.64 mmol, 11.6 eq.) was added to a solution of 1-Phenylpropargyl alcohol (52.9 mg, 0.40 mmol) and hydrazine monohydrate (500 mg, 10.0 mmol, 25 eq.) in methanol (5 mL) at room temperature. An RVC electrode was immersed in the solution and constant current electrolysis was performed at a current of 40 mA until an electrical flow of 45 F/mol was completed. Water (20 mL) was added to the reaction mixture and the aqueous layer was extracted with diethyl ether (20 mL, twice). The combined organic layer was dried over sodium sulfate and filtered. The solvent was removed under reduced pressure to give 1-phenyl-1-propanol as a colorless liquid (57.2 mg, >99% yield).

Experimenter’s Comments

The reaction mixture was monitored by UPLC.
The experiment was conducted in a fume hood because gas is produced during the reaction.
The reaction was carried out for about 8 hours.
IKA ElectraSyn 2.0 was used as an electrolytic apparatus in this experiment.

Analytical Data

1-phenyl-1-propanol

1H NMR (400 MHz, CDCl3); δ 7.39–7.26 (m, 5H), 4.59 (t, J = 6.4 Hz, 1H), 2.07 (br s, 1H), 1.88–1.70 (m, 2H), 0.92 (t, J = 7.2 Hz, 3H).

Lead Reference


Application
Deprotection of MOM Groups using Trifluoroacetic Acid

Reference

  • Protection for the Hydroxyl Group, Including 1,2- and 1,3-Diols
    • P. G. M. Wuts, in Greene’s Protective Groups in Organic Synthesis, 5th ed., ed. by P. G. M. Wuts, John Wiley & Sons, Inc., Hoboken, New Jersey, 2014, Chap. 2, 17.


Application
Pfitzner-Moffat Oxidation

Typical Procedure:
To a stirred solution of alcohol 1 (913 mg, 3.06 mmol) in benzene (85 mL) are added DMSO (1.31 mL, 18.4 mmol), pyridine (0.37 mL, 4.6 mmol), CF3COOH (0.35 mL, 4.6 mmol), and dicyclohexylcarbodiimide (1.89 g, 9.2 mmol). After being stirred for 30 min, the resulting white solids are filtered off. The filtrate is diluted with AcOEt (500 mL), and this is wshed with H2O (100 mL). The organic phase is dried over Na2SO4 and concentrated in vacuo. To the residue is added a small amount of AcOEt, and the precipitates are filtered off. The filtrate is concentrated in vacuo to give crude tetrahydrofuranone 2, which is reduced directly. The residue is dissolved in MeOH (20 mL), and NaBH4 (174 mg, 4.6 mmol) is added. After being stirred for 1 h, the mixture is neutralized with Amberlite IR-120 (H+). The resin is removed by filtration and washed with MeOH. The combined filtrate and washings are concentrated in vacuo. The residue is purified by flash column chromatography (SiO2, AcOEt : Toluene = 1 : 20) to give the epi alcohol 3 (758 mg, Y. 83%) as white crystals.

References


PubMed Literature


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