Tris(1H,1H-heptafluorobutyl)phosphate CAS 563-09-7
| CAS No. | 563-09-7 |
| Molecular Formula | C12H6F21O4P |
| Molecular Weight | 644.11 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Compared with other compounds in its class, the molecular weight of 644.11 g/mol gives Tris(1H,1H-heptafluorobutyl)phosphate distinctive chromatographic separation conditions and mass-spectrometry parameter settings.
Tris(1H,1H-heptafluorobutyl)phosphate (CAS 563-09-7) is a high-purity analytical reference standard with the molecular formula C12H6F21O4P and a molecular weight of 644.11 g/mol.
The molecular framework of Tris(1H,1H-heptafluorobutyl)phosphate (C12H6F21O4P) is characterized by a phosphate ester group, a carboxylic acid group, a hydroxyl group, an ether linkage, fluorine substitution. 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.
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 | C12H6F21O4P |
| Molecular Weight | 644.11 g/mol |
| Purity | 97%+ |
| Storage | Store in a cool place (≤25°C), keep sealed and dry |
| Solubility (reference) | Soluble in chloroform, dichloromethane, ethyl acetate, DMSO |
| Stability | Hygroscopic; reseal immediately after opening; Contains ester bond; hydrolyzes under strong alkaline conditions |
| Degree of Unsaturation (DBE) | -0.5 |
| CAS Registry Year (est.) | 1957 |
| Halogen Content | F-containing |
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