Trifluoroacetic acid
- CAS No.
- 76-05-1
- Chemical Name:
- Trifluoroacetic acid
- Synonyms
- TFA;CF3COOH;TRIFLUOROACETATE;Trifluoracetic acid;25ml;WASH BUFFER;trifluoroethanoicacid;Trifluoroethanoic acid;3-(azetidin-3-yloxy)propanoic acid;BUFFER A
- CBNumber:
- CB5127175
- Molecular Formula:
- C2HF3O2
- Molecular Weight:
- 114.02
- MOL File:
- 76-05-1.mol
- MSDS File:
- SDS
- Modify Date:
- 2024/5/7 17:43:10
| Melting point | -15.4 °C (lit.) |
|---|---|
| Boiling point | 72.4 °C (lit.) |
| Density | 1.489 g/mL at 20 °C (lit.) |
| vapor density | 3.9 (vs air) |
| vapor pressure | 97.5 mm Hg ( 20 °C) |
| refractive index |
n |
| Flash point | None |
| storage temp. | Store at +15°C to +25°C. |
| solubility | Miscible with ether, acetone, ethanol, benzene, hexane, and CCl<sub>4</sub> |
| pka | -0.3(at 25℃) |
| form | Liquid |
| Specific Gravity | 1.480 |
| color | Colorless |
| PH | 1 (10g/l, H2O) |
| PH Range | 1 |
| Odor | Sharp, pungent odor |
| Water Solubility | miscible |
| Sensitive | Hygroscopic |
| λmax |
λ: 260 nm Amax: 0.9 λ: 270 nm Amax: 0.10 λ: 280 nm Amax: 0.05 λ: 290 nm Amax: 0.04 λ: 300 nm Amax: 0.03 λ: 320 nm Amax: 0.025 |
| Merck | 14,9681 |
| BRN | 742035 |
| Dielectric constant | 23.7（20℃） |
| Stability | Stable. Incompatible with combustible material, strong bases, water, strong oxidizing agents. Non-combustible. Hygroscopic. May react violently with bases. |
| InChIKey | DTQVDTLACAAQTR-UHFFFAOYSA-N |
| CAS DataBase Reference | 76-05-1(CAS DataBase Reference) |
| NIST Chemistry Reference | Acetic acid, trifluoro-(76-05-1) |
| EPA Substance Registry System | Acetic acid, 2,2,2-trifluoro- (76-05-1) |
SAFETY
Risk and Safety Statements
| Symbol(GHS) |   GHS05,GHS07 |
|||||||||
|---|---|---|---|---|---|---|---|---|---|---|
| Signal word | Danger | |||||||||
| Hazard statements | H314-H332-H412 | |||||||||
| Precautionary statements | P261-P273-P280-P303+P361+P353-P304+P340+P310-P305+P351+P338 | |||||||||
| Hazard Codes | C,T,Xi | |||||||||
| Risk Statements | 20-35-52/53-34 | |||||||||
| Safety Statements | 9-26-27-28-45-61-28A-36/37/39 | |||||||||
| RIDADR | UN 2699 8/PG 1 | |||||||||
| WGK Germany | 2 | |||||||||
| RTECS | AJ9625000 | |||||||||
| F | 3 | |||||||||
| Hazard Note | Toxic/Corrosive | |||||||||
| TSCA | T | |||||||||
| HazardClass | 8 | |||||||||
| PackingGroup | I | |||||||||
| HS Code | 29159080 | |||||||||
| Toxicity | LD50 i.v. in mice: 1200 mg/kg (Airaksinen, Tammisto) | |||||||||
| NFPA 704 |
|
Trifluoroacetic acid price More Price(71)
| Manufacturer | Product number | Product description | CAS number | Packaging | Price | Updated | Buy |
|---|---|---|---|---|---|---|---|
| Sigma-Aldrich(India) | T6508 | Trifluoroacetic acid ReagentPlus?, 99% | 76-05-1 | 1AMP | ₹2143.35 | 2022-06-14 | Buy |
| Sigma-Aldrich(India) | T6508 | Trifluoroacetic acid ReagentPlus?, 99% | 76-05-1 | 5ML | ₹2944.4 | 2022-06-14 | Buy |
| Sigma-Aldrich(India) | T6508 | Trifluoroacetic acid ReagentPlus?, 99% | 76-05-1 | 25ML | ₹4633.1 | 2022-06-14 | Buy |
| Sigma-Aldrich(India) | T6508 | Trifluoroacetic acid ReagentPlus?, 99% | 76-05-1 | 100ML | ₹9699.2 | 2022-06-14 | Buy |
| Sigma-Aldrich(India) | T6508 | Trifluoroacetic acid ReagentPlus?, 99% | 76-05-1 | 10AMP | ₹9991.48 | 2022-06-14 | Buy |
Trifluoroacetic acid Chemical Properties,Uses,Production
Chemical Properties
Trifluoroacetic acid (TFA) is an analogue of acetic acid with the three hydrogen atoms replaced by three fluorine atoms. It has a vinegar-like odor and is a strong acid, a good solvent and has excellent reactive properties. The specific gravity of liquid TFA is 1.48 and it boils at 72 °C. Trifluoroacetic Acid is a solvent that is used in the production of pharmaceutical and agricultural chemicals as well as in many other specialized applications. Some of the more popular uses for TFA are as a silyl catalyst when derivatizing carbohydrates, as a reagent for purifying large peptides, as an ion pair reagent, and as an LC mobile phase additive.
Uses
Trifluoroacetic acid is an important building block in the synthesis of pharmaceuticals, agrochemicals and performance products. It is a precursor to many fluorinated compounds, and widely used in peptide synthesis and other organic transformations involving deprotection of t-BOC group. The combination of properties like solubility in most of the solvents, volatility, catalytic property, and strong acidity with non-oxidizing nature makes it a widely used reagent in organic synthesis. Trifluoroacetic acid can use as an ion pairing agent in liquid chromatography, as a solvent in NMR spectroscopy and as a calibrant in mass spectrometry. It is used as a catalyst in esterification reaction and condensation reaction and a protective agent for hydroxyl and amino.
Definition
ChEBI: Trifluoroacetic acid is a monocarboxylic acid that is the trifluoro derivative of acetic acid. It has a role as a reagent and a human xenobiotic metabolite. It derives from an acetic acid. It is a conjugate acid of a trifluoroacetate.
General Description
Trifluoroacetic acid appears as a colorless fuming liquid with a pungent odor. Soluble in water and denser than water. Corrosive to skin, eyes and mucous membranes. Used to make other chemicals and as a solvent.
Air & Water Reactions
Fumes in air. Soluble in water.
Reactivity Profile
Trifluoroacetic acid is a strong acid; attacks many metals [Handling Chemicals Safely 1980. p. 935]. A 30% solution of hydrogen peroxide in Trifluoroacetic acid is often used to destructively oxidize aromatic rings in preference to the side chains. Explosions have occurred, if the excess peroxide is not catalytically destroyed, prior to removal of solvent, [Tetrahedron Lett., 1977, 1703-1704]. The reduction of amides of Trifluoroacetic acid with lithium aluminum hydride are dangerous at all phases of the process, explosions have occurred, [Chem. Eng. News, 1955, 33, 1368].
Health Hazard
Trifluoroacetic acid is a highly corrosive substance. Contact of the liquid with the skin, eyes, and mucous membranes can cause severe burns, and ingestion can result in serious damage to the digestive tract. TFA vapor is highly irritating of the eyes and respiratory tract, and inhalation of high concentrations can lead to severe destruction of the upper respiratory tract and may be fatal as a result of pulmonary edema. Symptoms of overexposure to TFA vapor include a burning feeling, coughing, headache, nausea, and vomiting.
Trifluoroacetic acid has not been found to be carcinogenic or to show reproductive or developmental toxicity in humans.
Fire Hazard
Trifluoroacetic acid is not combustible. Nevertheless, the presence of trifluoroacetic acid at the site of a fire would be of great concern because of its high vapor pressure and extreme corrosiveness. Some are oxidizers and may ignite combustibles (wood, paper, oil, clothing, etc.). Contact with metals may evolve flammable hydrogen gas. Containers may explode when heated.
Safety Profile
Poison by ingestion and intraperitoneal routes. Moderately toxic by intravenous route. Mildly toxic by inhalation. A corrosive irritant to skin, eyes, and mucous membranes. When heated to decomposition it emits toxic fumes of F-. Used as a strong organic acid catalyst.
storage
trifluoroacetic acid should be stored in an acid cabinet away from other classes of compounds. Because of its high vapor pressure, fumes of trifluoroacetic acid can destroy labels on other bottles if the container is not tightly sealed.
Purification Methods
The purification of trifluoroacetic acid, reported in earlier editions of this work, by refluxing over KMnO4 for 24hours and slowly distilling has resulted in very SERIOUS EXPLOSIONS on various occasions, but not always. This apparently depends on the source and/or age of the acid. The method is NOT RECOMMENDED. Water can be removed by adding trifluoroacetic anhydride (0.05%, to diminish water content) and distilling. [Conway & Novak J Phys Chem 81 1459 1977]. It can be refluxed and distilled from P2O5. It is further purified by fractional crystallisation by partial freezing and again distilled. Highly TOXIC vapour. Work in an efficient fume hood. [Beilstein 2 IV 458.]
Incompatibilities
Mixing trifluoroacetic acid and water evolves considerable heat.
Waste Disposal
Trifluoroacetic acid and waste material containing this substance should be placed in an appropriate container, clearly labeled, and handled according to your institution's waste disposal guidelines.
Trifluoroacetic acid Preparation Products And Raw materials
Raw materials
1of2
chevron_rightPreparation Products
1of8
chevron_right| Supplier | Tel | Country | ProdList | Advantage | Inquiry |
|---|---|---|---|---|---|
| GLR Innovations | +91 9891111994 | New Delhi, India | 4542 | 58 | Inquiry |
| SUJALAM CHEMICALS | +91-9422560788 +91-9422560788 | Maharashtra, India | 42 | 58 | Inquiry |
| SRF Limited | +91-9810617574 +91-9650533660 | Haryana, India | 40 | 58 | Inquiry |
| JSK Chemicals | +919879767970 | Gujarat, India | 3756 | 58 | Inquiry |
| Otto Chemie Pvt. Ltd. | +91 9820041841 | Mumbai, India | 5873 | 58 | Inquiry |
| Alfa Aesar | 1 800 209 7001 | Maharashtra, India | 6913 | 58 | Inquiry |
| LOBA CHEMIE PVT.LTD. | 91-22-6663 6699 | Mumbai, India | 3077 | 58 | Inquiry |
| Pharmaffiliates Analytics and Synthetics P. Ltd | +91-172-5066494 | Haryana, India | 6773 | 58 | Inquiry |
| Central Drug House(P) Ltd. | 91-11-49404040 | New Delhi, India | 6160 | 58 | Inquiry |
| Solvchem | 08048617749 | Mumbai, India | 37 | 58 | Inquiry |
| Supplier | Advantage |
|---|---|
| GLR Innovations | 58 |
| SUJALAM CHEMICALS | 58 |
| SRF Limited | 58 |
| JSK Chemicals | 58 |
| Otto Chemie Pvt. Ltd. | 58 |
| Alfa Aesar | 58 |
| LOBA CHEMIE PVT.LTD. | 58 |
| Pharmaffiliates Analytics and Synthetics P. Ltd | 58 |
| Central Drug House(P) Ltd. | 58 |
| Solvchem | 58 |
Related articles
- Trifluoroacetic acid: Physicochemical property, Uses and NMR challenge
- rifluoroacetic acid (TFA) is widely used as a solvent, catalyst and reagent in organic synthesis.
- Apr 15，2024
- Trifluoroacetic acid: Application, synthesis and toxicity
- Trifluoroacetic acid is a stronger acid than acetic acid, has been widely used in organic synthesis as a solvent, catalyst and....
- Apr 11，2023
- Trifluoroacetic acid-Health Hazards and Toxicity
- Trifluoroacetic acid is a highly corrosive substance. Contact of the liquid with the skin, eyes, and mucous membranes can caus....
- Sep 10，2019
76-05-1(Trifluoroacetic acid)Related Search:
1of4
chevron_right