Dimethyl 4-(trifluoromethyl)phthalate CAS 728-47-2
| CAS No. | 728-47-2 |
| Molecular Formula | C11H9F3O4 |
| Molecular Weight | 262.18 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 Dimethyl 4-(trifluoromethyl)phthalate.
CATO supplies Dimethyl 4-(trifluoromethyl)phthalate (CAS 728-47-2), a certified reference material (molecular formula C11H9F3O4, MW 262.18 g/mol) for analytical method development and quality control.
Structurally, Dimethyl 4-(trifluoromethyl)phthalate (C11H9F3O4) contains a carboxylic acid group, a hydroxyl group, an ether linkage, fluorine substitution, an aromatic ring system. The molecule exhibits a degree of unsaturation (DBE) of 6.0, corresponding to approximately 6 ring(s) or double-bond equivalent(s). With a molecular weight of 262.18 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.
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 | C11H9F3O4 |
| Molecular Weight | 262.18 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.) | 1957 |
| Halogen Content | F-containing |
Related Dimethyl Standards
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Recommended Standards
- Bis-(2-chloro-ethyl)-(4-methoxy-benzyl)-amine (CAS 91561-99-8)
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- 1,3-Dimethyl-5-(3-(trifluoromethyl)phenoxy)-1H-pyrazole-4-carbonitrile (CAS 956607-11-7)
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- Ethyl 5-chloropyrazine-2-carboxylate (CAS 54013-04-6)
- 1-Benzyl D-Aspartate (CAS 79337-40-9)
- 2-((3-Ethyl-4-oxo-7-(p-tolyl)-3,4-dihydrothieno[3,2-d]pyrimidin-2-yl)thio)-N-(2-methoxybenzyl)acetamide (CAS 1040631-94-4)
- (R)-1-(2-amino-1-fluoroethyl)cyclopropan-1-ol (CAS 2242578-81-8)
- n-(Cyclopropylmethyl)-4-fluoro-2-iodobenzamide (CAS 1147669-43-9)
- Semaglutide Impurity 191 (CAS CATO-C4X-2226191)
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