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Merck

80457

Trifluoroacetic acid

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

Synonym(s):

TFA

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About This Item

Linear Formula:
CF3COOH
CAS Number:
Molecular Weight:
114.02
EC Number:
200-929-3
UNSPSC Code:
41116105
NACRES:
NB.21
Beilstein/REAXYS Number:
742035
MDL number:
Assay:
≥99.0% (GC)
Form:
liquid
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vapor density

3.9 (vs air)

Quality Level

vapor pressure

97.5 mmHg ( 20 °C)

product line

LiChropur

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.)

solubility

water: soluble 10,000 g/L

density

1.489 g/mL at 20 °C (lit.)

anion traces

chloride (Cl-): ≤50 mg/kg, sulfite (SO32-): ≤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

SMILES string

OC(C(F)(F)F)=O

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

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

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).

Packaging

Clear borosilicate glass, high hydrolytic resistance (Type I)

Legal Information

LiChropur is a trademark of Merck KGaA, Darmstadt, Germany


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pictograms

CorrosionExclamation mark

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Danger

Hazard Classifications

Acute Tox. 4 Inhalation - Aquatic Chronic 3 - Eye Dam. 1 - Skin Corr. 1A

Storage Class

8B - Non-combustible corrosive hazardous materials

wgk

WGK 2



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Simple means to alleviate sensitivity loss by trifluoroacetic acid (TFA) mobile phases in the hydrophilic interaction chromatography?electrospray tandem mass spectrometric (HILIC?ESI/MS/MS) bioanalysis of basic compounds
Shou ZW and Naidong W
Journal of Chromatography. B, Biomedical Sciences and Applications, 825(2), 186-192 (2005)