00922

Difluoroacetic acid

for LC-MS LiChropur^™, ≥97.5% (GC)

• Synonym(s): DFA
• Linear Formula: F₂CHCO₂H
• CAS Number: 381-73-7
• Molecular Weight: 96.03
• Beilstein/REAXYS Number: 1098588
• MDL number: MFCD00004220
• UNSPSC Code: 41116004
• NACRES: NB.21

Properties

• assay: ≥97.5% (GC); 97.5-102.5% (T)
• technique(s): LC/MS: suitable
• refractive index: n20/D 1.344 (lit.)
• bp: 132-134 °C (lit.)
• mp: −1 °C (lit.)
• density: 1.526 g/mL at 25 °C (lit.)
• cation traces: Al: ≤5 ppm; Ca: ≤20 ppm; Cu: ≤5 ppm; Fe: ≤2 ppm; K: ≤50 ppm; Mg: ≤5 ppm; Na: ≤50 ppm
• suitability: passes test for LC-MS
• SMILES string: OC(=O)C(F)F; OC(=O)C(F)F
• InChI: 1S/C2H2F2O2/c3-1(4)2(5)6/h1H,(H,5,6)
• InChI key: PBWZKZYHONABLN-UHFFFAOYSA-N

Description

General description

Compared to trifluoroacetic acid (TFA), difluoroacetic acid (DFA) exhibits an improved sensitivity in mass spectral detection (ESI) as it has a reduced effect on ion suppression in reversed-phase liquid chromatography (RPLC-MS), while keeping its strong chromatographic performance enhancing effects.

Difluoroaceticacid is used in liquid chromatography-mass spectrometry applications. It is a volatile, low molecular-weight organic acid that improves the ionization and resolution of many molecules.

Application

Difluoroacetic acid can be used as an:

• Acidifier in liquid chromatography (LC) experiments.
• Ion-pairing agent in the HILIC-MS (hydrophilic interaction liquid chromatography-mass spectrometry) analysis of intact pharmaceutical glycoproteins.

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Legal Information

LiChropur is a trademark of Merck KGaA, Darmstadt, Germany

Safety Information

• pictograms: GHS05,GHS07
• signalword: Danger
• hcodes: H314,H332,H412
• pcodes: 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: 8A - Combustible corrosive hazardous materials
• wgk_germany: WGK 3
• flash_point_f: 172.4 °F - closed cup
• flash_point_c: 78 °C - closed cup