Methyl 3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propanoate CAS 7594-51-6
| CAS No. | 7594-51-6 |
| Molecular Formula | C5H4F6O3 |
| Molecular Weight | 226.07 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 Methyl 3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propanoate.
Methyl 3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propanoate (CAS 7594-51-6) is a high-purity analytical reference standard with the molecular formula C5H4F6O3 and a molecular weight of 226.07 g/mol.
Structurally, Methyl 3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propanoate (C5H4F6O3) contains a carboxylic acid group, a hydroxyl group, an ether linkage, fluorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 1.0, corresponding to approximately 1 ring(s) or double-bond equivalent(s). With a molecular weight of 226.07 g/mol, it falls into the medium-molecular-weight range. 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), Methyl 3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propanoate 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 | C5H4F6O3 |
| Molecular Weight | 226.07 g/mol |
| Purity | 97%+ |
| Storage | Store in a cool place (≤25°C), keep sealed and dry, keep tightly closed to prevent evaporation |
| Solubility (reference) | Soluble in methanol, ethanol, DMSO, water |
| Stability | Hygroscopic; reseal immediately after opening; Contains ester bond; hydrolyzes under strong alkaline conditions |
| Degree of Unsaturation (DBE) | 1.0 |
| CAS Registry Year (est.) | 1959 |
| Halogen Content | F-containing |
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- 2-Bromo-4-cyclopropoxy-3-methylpyridine (CAS 1243288-61-0)
- 4-Cyano-2-methoxyphenylhydrazine (CAS 1260791-18-1)
- tert-butyl 1-oxo-6-azaspiro[3.4]octane-6-carboxylate (CAS 1251010-17-9)
- 2-((1r,3r)-3-Hydroxycyclobutoxy)acetic acid (CAS 2719746-85-5)
- 5,6-Difluoro-1,2-dimethyl-1H-benzo[d]imidazole (CAS 1662-23-3)
- 4-(2-(Tert-butylamino)-1-hydroxyethyl)-2-(hydroxymethyl)phenol sulfate (CAS 39971-61-4)
- Thioctic acid Impurity 36 (CAS 2635383-46-7)
- 2-Hydroxy-8-methyl-4H-pyrido[1,2-a]pyrimidin-4-one (CAS 17326-10-2)
- 2,2’-Disulfanediyl-bis-succinamide (CAS 62020-62-6)
- Semaglutide impurity 331 (CAS CATO-C4X-2226231)
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