Trifluoroacetic acid
SIAL/80457 - eluent additive for LC-MS, LiChropur™, ≥99.0% (GC)
Synonym: TFA
CAS Number: 76-05-1
Empirical Formula (Hill Notation): C2HF3O2
Molecular Weight: 114.02
EC Number: 200-929-3
MDL Number: MFCD00004169
Linear Formula: CF3COOH
Product Type: Chemical
| anion traces | chloride (Cl-): ≤50 mg/kg |
| sulfite (SO32-): ≤10 mg/kg | |
| assay | ≥99.0% (GC) |
| bp | 72.4 °C (lit.) |
| cation traces | Ag: ≤0.05 mg/kg |
| Al: ≤0.1 mg/kg | |
| Ba: ≤0.1 mg/kg | |
| Bi: ≤0.5 mg/kg | |
| Ca: ≤0.5 mg/kg | |
| Cd: ≤0.1 mg/kg | |
| Co: ≤0.05 mg/kg | |
| Cr: ≤0.1 mg/kg | |
| Cu: ≤0.05 mg/kg | |
| Fe: ≤1.0 mg/kg | |
| K: ≤1.0 mg/kg | |
| Li: ≤0.1 mg/kg | |
| Mg: ≤1.0 mg/kg | |
| Mn: ≤0.1 mg/kg | |
| Mo: ≤0.05 mg/kg | |
| Na: ≤1.0 mg/kg | |
| NH4+: ≤10 mg/kg | |
| Ni: ≤0.1 mg/kg | |
| Pb: ≤0.05 mg/kg | |
| Sr: ≤0.05 mg/kg | |
| Tl: ≤0.1 mg/kg | |
| Zn: ≤0.1 mg/kg | |
| density | 1.489 g/mL at 20 °C (lit.) |
| form | liquid |
| impurities | ≤0.05% water |
| ≤50 mg/kg total sulfur (as SO4) | |
| InChI | 1S/C2HF3O2/c3-2(4,5)1(6)7 |
| InChI key | DTQVDTLACAAQTR-UHFFFAOYSA |
| mp | −15.4 °C (lit.) |
| product line | LiChropur™ |
| Quality Level | 100  |
| refractive index | n |
| SMILES string | OC(C(F)(F)F)=O |
| solubility | water: soluble 10,000 g/L |
| suitability | passes test for LC-MS |
| technique(s) | LC/MS: suitable |
| UV absorption | λ: 260 nm Amax: ≤0.9 |
| λ: 270 nm Amax: ≤0.1 | |
| λ: 280 nm Amax: ≤0.08 | |
| λ: 290 nm Amax: ≤0.07 | |
| λ: 300 nm Amax: ≤0.06 | |
| λ: 320 nm Amax: ≤0.05 | |
| vapor density | 3.9 (vs air) |
| vapor pressure | 97.5 mmHg ( 20 °C) |
| Application: | Trifluoroacetic acid may be used as a mobile phase additive for the analysis of basic compounds in biological samples using hydrophilic interaction liquid chromatography-electrospr |
| General description: | Trifluoroacetic acid is commonly used as a mobile phase additive in liquid chromatography-mass spectrometry (LC-MS). Features: • Extensive QC testing ensures the highest specifications. • Optimized to improve ionization and resolution. • Extremely low levels of inorganic and organic impurities. • Manufactured specifically for accurate and fast LC-MS. |
| Legal Information: | LiChropur is a trademark of Merck KGaA, Darmstadt, Germany |
| Packaging: | Clear borosilicate glass, high hydrolytic resistance (Type I) |
| Symbol |   GHS05,GHS07 |
| Signal word | Danger |
| Hazard statements | H314 - H332 - H412 |
| Precautionary statements | P261 - P273 - P280 - P303 + P361 + P353 - P304 + P340 + P310 - P305 + P351 + P338 |
| RIDADR | UN 2699 8 / PGI |
| WGK Germany | WGK 2 |
| Flash Point(F) | > 212.0 °F - Pensky-Martens |
| Flash Point(C) | > 100 °C - Pensky-Martens c |
| Purity | ≥99.0% (GC) |
| bp | 72.4 °C (lit.) |
| mp | −15.4 °C (lit.) |
| Density | 1.489 g/mL at 20 °C (lit.) |
| Refractive Index | n |
| UNSPSC | 41116105 |