diethyl [3-(trifluoromethyl)benzoyl]phosphonate CAS 86208-45-9
| CAS No. | 86208-45-9 |
| Molecular Formula | C12H14F3O4P |
| Molecular Weight | 310.21 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Compared with other compounds in its class, the molecular weight of 310.21 g/mol gives diethyl [3-(trifluoromethyl)benzoyl]phosphonate distinctive chromatographic separation conditions and mass-spectrometry parameter settings.
diethyl [3-(trifluoromethyl)benzoyl]phosphonate (CAS 86208-45-9) is a high-purity analytical reference standard with the molecular formula C12H14F3O4P and a molecular weight of 310.21 g/mol.
The molecular framework of diethyl [3-(trifluoromethyl)benzoyl]phosphonate (C12H14F3O4P) is characterized by a phosphate ester group, a carboxylic acid group, a hydroxyl group, an ether linkage, fluorine substitution, an aromatic ring system. In reversed-phase chromatography, its retention is governed primarily by its high hydrophobicity (logP), 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.
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
As a certified reference material (CRM), diethyl [3-(trifluoromethyl)benzoyl]phosphonate 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 | C12H14F3O4P |
| Molecular Weight | 310.21 g/mol |
| Appearance | Off-white to pale yellow crystalline powder. (slight halide-like odor, low volatility) |
| Purity | 97%+ |
| Storage | Store in a cool place (≤25°C), keep sealed and dry |
| Solubility (reference) | Soluble in chloroform, dichloromethane, ethyl acetate, DMSO |
| Stability | May oxidize slowly on prolonged air exposure; Hygroscopic; reseal immediately after opening; Contains ester bond; hydrolyzes under strong alkaline conditions |
| Degree of Unsaturation (DBE) | 4.5 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1981 |
| Halogen Content | F-containing |
Related diethyl Standards
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- Diethyl 2,2-(1,3-Dithietane-2,4-diylidene)bis(cyanoacetate) (CAS 22624-54-0)
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Recommended Standards
- 4,4'-Oxybis(isobenzofuran-1,3-dione) (CAS 50662-96-9)
- 4-(4-Bromophenyl)-2-(2-(propan-2-ylidene)hydrazinyl)thiazole (CAS 324065-65-8)
- n-(2-Bromo-4-methylphenyl)-2-(thiophen-3-yl)acetamide (CAS 850601-61-5)
- 3,4'-Oxydiphthalic anhydride (CAS 50662-95-8)
- 5,7-Dibromo-2,3-dihydro-1H-cyclopenta[b]quinoline (CAS 861206-23-7)
- 4-(1-ISocyanoethyl)pyridine (CAS 87869-17-8)
- 1-(2,3-Dimethoxyphenyl)ethanamine (CAS 122670-44-4)
- 2-butyl-4-methyl-1,3-thiazole-5-carboxylic acid (CAS 1087792-58-2)
- 6-Amino-4-chloro-2-iminopyrimidin-1(2H)-ol (CAS 34960-71-9)
- methyl 4-amino-1-fluoro-cyclohexanecarboxylate;hydrochloride (CAS 1374654-48-4)
- 2,3,6,7-Tetramethoxynaphthalene (CAS 33033-33-9)
- Phenyl isonicotinate (CAS 94-00-8)
- 2-Imino-10-methyl-N-(2-morpholinoethyl)-5-oxo-1-(pyridin-3-ylmethyl)-2,5-dihydro-1H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide (CAS 618410-36-9)
- Peptide Impurity 28 (CAS 1350456-64-2)
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