80457

Trifluoroacetic acid

eluent additive for LC-MS, LiChropur^™, ≥99.0% (GC)

• Synonym(s): TFA
• Linear Formula: CF₃COOH
• CAS Number: 76-05-1
• Molecular Weight: 114.02
• Beilstein: 742035
• EC Number: 200-929-3
• MDL number: MFCD00004169
• UNSPSC Code: 41116105
• NACRES: NB.21

Properties

• vapor density: 3.9 (vs air)
• Quality Level: 100
• vapor pressure: 97.5 mmHg ( 20 °C)
• Assay: ≥99.0% (GC)
• form: liquid
• technique(s): LC/MS: suitable
• impurities: ≤0.05% water; ≤50 mg/kg total sulfur (as SO₄)
• refractive index: n20/D 1.3 (lit.)
• bp: 72.4 °C (lit.)
• mp: −15.4 °C (lit.)
• density: 1.489 g/mL at 20 °C (lit.)
• anion traces: chloride (Cl^-): ≤50 mg/kg; sulfite (SO₃^2-): ≤10 mg/kg
• 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; NH₄⁺: ≤10 mg/kg; Na: ≤1.0 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
• UV absorption: λ: 260 nm A_max: ≤0.9; λ: 270 nm A_max: ≤0.1; λ: 280 nm A_max: ≤0.08; λ: 290 nm A_max: ≤0.07; λ: 300 nm A_max: ≤0.06; λ: 320 nm A_max: ≤0.05
• SMILES string: OC(C(F)(F)F)=O
• suitability: passes test for LC-MS
• InChI: 1S/C2HF3O2/c3-2(4,5)1(6)7/h(H,6,7)
• InChI key: DTQVDTLACAAQTR-UHFFFAOYSA-N

Description

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.

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-electrospray ionization coupled to tandem mass spectrometry (HILIC–ESI/MS/MS) and reversed-phase liquid chromatography coupled to tandem mass spectrometry (RP-LC-MS/MS).[1]

Packaging

Clear borosilicate glass, high hydrolytic resistance (Type I)

Legal Information

LiChropur is a trademark of Merck KGaA, Darmstadt, Germany

Safety Information

• Pictograms: 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 Classifications: Acute Tox. 4 Inhalation - Aquatic Chronic 3 - Eye Dam. 1 - Skin Corr. 1A
• Storage Class Code: 8B - Non-combustible corrosive hazardous materials
• WGK: WGK 2
• Flash Point(F): >212.0 °F - Pensky-Martens closed cup
• Flash Point(C): > 100 °C - Pensky-Martens closed cup