4-Chloro-3,3-difluorobutanoic acid CAS 2167470-97-3
| CAS No. | 2167470-97-3 |
| Molecular Formula | C4H5ClF2O2 |
| Molecular Weight | 158.53 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
4-Chloro-3,3-difluorobutanoic acid (CAS 2167470-97-3), molecular formula C4H5ClF2O2 and molecular weight 158.53 g/mol, is a CATO reference standard with documented purity and traceability.
The molecular framework of 4-Chloro-3,3-difluorobutanoic acid (C4H5ClF2O2) is characterized by a carboxylic acid group, a hydroxyl group, an ether linkage, fluorine/chlorine substitution. In reversed-phase chromatography, its retention is governed primarily by the polarity and ionization state of its functional groups, which provides a practical basis for HPLC-UV/DAD or LC-MS method development. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
This reference standard is suitable for quantitative analysis on major chromatographic platforms including HPLC, GC, LC-MS/MS, and GC-MS, serving as an external calibration standard or a system suitability test reference material.
The assigned purity is verified by mass-balance and quantitative NMR (qNMR) approaches, with the expanded uncertainty reported at a 95% confidence level (k=2). Batch homogeneity and stability are independently assessed for every lot.
Physical & Chemical Properties
| Molecular Formula | C4H5ClF2O2 |
| Molecular Weight | 158.53 g/mol |
| Purity | 97%+ |
| Storage | Store at 2-8°C, keep tightly closed to prevent evaporation |
| Solubility (reference) | Soluble in methanol, acetonitrile, DMSO, water (slightly soluble) |
| Stability | Contains ester bond; hydrolyzes under strong alkaline conditions |
| Degree of Unsaturation (DBE) | 1.0 |
| CAS Registry Year (est.) | 1998 |
| Halogen Content | F/Cl-containing |
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Recommended Standards
- Strontium chloride (CAS 10476-85-4)
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- N1,N2-Bis(pyridin-4-ylmethyl)ethane-1,2-diamine (CAS 7254-15-1)
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- 5-Bromo-2-(5-bromoindolin-2-yl)phenol (CAS 1954693-13-0)
- [β-Asp]9-Semaglutide (CAS CATO-CPTD788605)
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