Trifluoroacetic acid , >99.5% , 76-05-1
Synonym(s):
TFA;TFA in H2O/ACN;TFA solution;Trifluoroacetic acid solution;Trifluoroacetic acid ZerO2
CAS NO.：76-05-1
Empirical Formula: C2HF3O2
Molecular Weight: 114.02
MDL number: MFCD00004169
EINECS: 200-929-3
PRODUCT Properties
| 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) |
| Odor | Sharp, pungent odor |
| PH Range | 1 |
| 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) |
Description and 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.
Safety
| 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 |
| Hazardous Substances Data | 76-05-1(Hazardous Substances Data) |
| Toxicity | LD50 i.v. in mice: 1200 mg/kg (Airaksinen, Tammisto) |
