Bis-(1-chloro-2-propyl)phosphate (Mixture of Isomers) CAS 789440-10-4
| CAS No. | 789440-10-4 |
| Molecular Formula | C6H13Cl2O4P |
| Molecular Weight | N/A |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
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.
CATO supplies Bis-(1-chloro-2-propyl)phosphate (Mixture of Isomers) (CAS 789440-10-4), a certified reference material (molecular formula C6H13Cl2O4P·C6H13Cl2O4P·C6H13Cl2O4P, MW 753.12 g/mol) for analytical method development and quality control.
Structurally, Bis-(1-chloro-2-propyl)phosphate (Mixture of Isomers) (C6H13Cl2O4P·C6H13Cl2O4P·C6H13Cl2O4P) contains a phosphate ester group, a carboxylic acid group, a hydroxyl group, an ether linkage, chlorine substitution. The molecule exhibits a degree of unsaturation (DBE) of -3.5, corresponding to approximately 0 ring(s) or double-bond equivalent(s). With a molecular weight of 753.12 g/mol, it falls into the high-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.
Physical & Chemical Properties
| Molecular Formula | C6H13Cl2O4P · C6H13Cl2O4P · C6H13Cl2O4P |
| Molecular Weight | 753.12 g/mol |
| Purity | >95% |
| Storage | Store at room temperature, keep sealed and dry |
| Solubility (reference) | Soluble in methanol, acetonitrile, DMSO, water (slightly soluble) |
| Stability | Contains ester bond; hydrolyzes under strong alkaline conditions |
| Degree of Unsaturation (DBE) | -3.5 |
| CAS Registry Year (est.) | 1986 |
| Halogen Content | Cl-containing |
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- 3-Amino-4-(trifluoromethoxy)phenol (CAS 1261581-61-6)
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