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TCI

CAS 375-22-4

Heptafluorobutyric Acid (ca. 0.5mol/L in Water) [Ion-Pair Reagent for LC-MS] TCI A5713

Heptafluorobutyric Acid (ca. 0.5mol/L in Water) [Ion-Pair Reagent for LC-MS] TCI A5713

Chemical Identity

CAS No.
375-22-4
PubChem
CID 9777·SID 87563215
Formula
C4HF7O2
Molecular weight
214.04 g/mol
Reference databases
ChEBI·ChemSpider·ECHA·Wikipedia
Full identifiers (IUPAC, SMILES, InChIKey)
IUPAC
2,2,3,3,4,4,4-heptafluorobutanoic acid
SMILES
C(=O)(C(C(C(F)(F)F)(F)F)(F)F)O
InChIKey
YPJUNDFVDDCYIH-UHFFFAOYSA-N
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Heptafluorobutyric Acid (HFBA), also known as TCI A5713, is a specialized ion-pair reagent used in liquid chromatography-mass spectrometry (LC-MS) applications. This compound is essential for enhancing the ionization of analytes, particularly those that are difficult to ionize naturally. It plays a critical role in analytical chemistry by improving the detection and separation of complex compounds in various sample matrices. HFBA is widely utilized in laboratories for its ability to form ion-pair complexes, which facilitates the analysis of both organic and inorganic substances. Its effectiveness in LC-MS makes it a key component in modern analytical workflows.

HFBA is valued for its high solubility in water and its chemical stability under controlled conditions. These properties make it easy to handle and store, contributing to its popularity among analytical chemists. The compound’s reactivity and ability to form ion-pairs with charged species allow for improved resolution and sensitivity in chromatographic separations. Its reliability and consistent performance ensure accurate and reproducible results, making it a preferred choice for analytical laboratories. Additionally, HFBA’s compatibility with various analytical systems enhances its versatility in different experimental setups.

In Indonesian laboratories, HFBA is commonly used in research fields such as pharmaceuticals, environmental analysis, and food science. It supports both qualitative and quantitative analyses, enabling scientists to achieve precise and reliable data. Its application in LC-MS is particularly important for studying complex mixtures and identifying trace compounds. The compound’s role in advancing analytical techniques underscores its significance in the scientific community across Indonesia.

Advantages (TCI brochure)

  • Highly volatile ion-pair reagent allowing continuous LC-MS analysis
  • Does not contaminate LC-MS interfaces

TCI brochures (PDF)

  • Liquid Chromatography-Mass Spectrometry (LC-MS) for enhanced ionization of non-volatile and polar compounds due to its ion-pairing ability.
  • Environmental Analysis for detecting trace organic pollutants in water and soil samples with high sensitivity and accuracy.
  • Pharmaceutical Research for analyzing drug metabolites and active ingredients in complex biological matrices.
  • Food Safety Testing for identifying and quantifying contaminants and additives in food products with reliable detection limits.
  • Forensic Science for the analysis of illicit drugs and toxic substances in biological fluids and environmental samples.

From the TCI brochure

  • Ion-pair reagent for LC-MS; shown with benzylamine and phenylalanine chromatograms

Brand TCI
CAS number 375-22-4
Molecular formula —
Purity —
Category Analytical Chemistry > Analytical Reagents > Chromatography Reagents and Solvents
Pack sizes 500 mL
Physical form Liquid
Storage Store at room temperature, away from moisture and direct sunlight.

Data from the TCI brochure

Mobile phaseCH3OH / H2O = 40 / 60 containing 5mM IPC Reagent (Kaseisorb LC ODS 2000, 2.0 mm I.D. X 150 mm; flow 0.2 mL/min; 25°C; UV 254 nm; MS 1100 MSD (Agilent) ESI (Positive))

Source: TCI brochure A1084 (2025-12-09)

Heptafluorobutyric Acid should be stored in a cool, dry place away from direct sunlight and moisture. It is recommended to use airtight, glass containers to prevent contamination and maintain chemical stability. Due to its reactive nature, HFBA should be handled with appropriate personal protective equipment, including gloves and safety goggles. It is important to ensure proper ventilation when working with this compound to avoid inhalation of vapors. Avoid contact with incompatible materials such as strong bases or oxidizing agents. Proper labeling and storage conditions are essential to maintain the integrity and safety of the reagent in the laboratory environment.

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