5-(2-Chloro-6-fluorophenyl)-5-oxovaleric acid CAS 951891-31-9
| CAS No. | 951891-31-9 |
| Molecular Formula | C11H10ClFO3 |
| Molecular Weight | 244.65 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Under current pharmacopoeial and regulatory frameworks, quality-control requirements for this class of reference material explicitly involve the control of targets including 5-(2-Chloro-6-fluorophenyl)-5-oxovaleric acid.
5-(2-Chloro-6-fluorophenyl)-5-oxovaleric acid (CAS 951891-31-9), molecular formula C11H10ClFO3 and molecular weight 244.65 g/mol, is a CATO reference standard with documented purity and traceability.
Based on its molecular formula C11H10ClFO3, 5-(2-Chloro-6-fluorophenyl)-5-oxovaleric acid contains a carboxylic acid group, a hydroxyl group, an ether linkage, fluorine/chlorine substitution, an aromatic ring system; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 244.65 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. 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.
As a certified reference material (CRM), 5-(2-Chloro-6-fluorophenyl)-5-oxovaleric acid meets the metrological traceability requirements of ISO/IEC 17025 laboratories. Batch-to-batch consistency is monitored via control charts to guarantee comparable assigned values across lots.
Physical & Chemical Properties
| Molecular Formula | C11H10ClFO3 |
| Molecular Weight | 244.65 g/mol |
| Appearance | Off-white to pale yellow crystalline powder. (slight halide-like odor, low volatility) |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, keep sealed and dry, keep tightly closed to prevent evaporation |
| Solubility (reference) | Soluble in methanol, ethanol, DMSO |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; Hygroscopic; reseal immediately after opening; Contains ester bond; hydrolyzes under strong alkaline conditions |
| Degree of Unsaturation (DBE) | 6.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1987 |
| Halogen Content | F/Cl-containing |
Related Chloro Standards
- 3-Chloro-4-ethoxy-5-fluorocinnamic acid (CAS 1017779-08-6)
- 2-Chloro-6-methoxy-4-nitrobenzo[d]thiazole (CAS 1188227-45-3)
- Methyl 4-(4-chloro-3-fluorophenyl)-4-oxobutanoate (CAS 1247500-98-6)
- Ethyl 3-(3-chloro-5-fluorophenyl)-3-oxopropanoate (CAS 1260763-41-4)
- Ethyl 3-(4-chloro-3-fluorophenyl)-3-oxopropanoate (CAS 1260808-42-1)
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Recommended Standards
- 5-(2-Chloro-4-fluorophenyl)-5-oxopentanoic acid (CAS 951889-41-1)
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- Pyrazolo[1,5-a]pyrimidin-7-ol, 3-bromo-5,6-dimethyl- (CAS 1310318-42-3)
- 4-((3,5-Dimethylpiperidin-1-yl)methyl)benzonitrile (CAS 1019467-61-8)
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