2-(Trifluoromethyl)malonic acid dimethyl ester CAS 5838-00-6
| CAS No. | 5838-00-6 |
| Molecular Formula | C6H7F3O4 |
| Molecular Weight | 200.11 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 2-(Trifluoromethyl)malonic acid dimethyl ester.
2-(Trifluoromethyl)malonic acid dimethyl ester (CAS 5838-00-6) is a high-purity analytical reference standard with the molecular formula C6H7F3O4 and a molecular weight of 200.11 g/mol.
Structurally, 2-(Trifluoromethyl)malonic acid dimethyl ester (C6H7F3O4) contains a carboxylic acid group, a hydroxyl group, an ether linkage, fluorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 2.0, corresponding to approximately 2 ring(s) or double-bond equivalent(s). With a molecular weight of 200.11 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), 2-(Trifluoromethyl)malonic acid dimethyl ester 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 | C6H7F3O4 |
| Molecular Weight | 200.11 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) | 2.0 |
| CAS Registry Year (est.) | 1958 |
| Halogen Content | F-containing |
Related Trifluoromethyl Standards
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- 2-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]acetic acid (CAS 1369240-90-3)
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Recommended Standards
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- Poly(diethyleneglycolsuccinate) (CAS 26183-02-8)
- 3-Bromo-4-(difluoromethyl)benzonitrile (CAS 1261476-24-7)
- Procymidone (CAS 32809-16-8)
- 1-[(4-methyl-4H-1,2,4-triazol-3-yl)methyl]-1H-indole-6-carboxylic acid (CAS 1543063-34-8)
- 5-((4-Chlorophenoxy)methyl)-N-(2-fluorophenyl)furan-2-carboxamide (CAS 445239-51-0)
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