6-(4-Chloro-3-methylphenoxy)-6,7-dihydro-5H-dibenzo[d,f][1,3,2]diazaphosphepine 6-oxide CAS 68521-36-8
| CAS No. | 68521-36-8 |
| Molecular Formula | C19H16ClN2O2P |
| Molecular Weight | 370.77 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Structurally, 6-(4-Chloro-3-methylphenoxy)-6,7-dihydro-5H-dibenzo[d,f][1,3,2]diazaphosphepine 6-oxide (C19H16ClN2O2P) contains a steroid core, an amide group, organophosphorus functionality, a hydroxyl group, an ether linkage, chlorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 12.5, corresponding to approximately 12 ring(s) or double-bond equivalent(s). With a molecular weight of 370.77 g/mol, it falls into the moderately-high-molecular-weight range. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.
6-(4-Chloro-3-methylphenoxy)-6,7-dihydro-5H-dibenzo[d,f][1,3,2]diazaphosphepine 6-oxide (CAS 68521-36-8) is a high-purity analytical reference standard with the molecular formula C19H16ClN2O2P and a molecular weight of 370.77 g/mol.
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 | C19H16ClN2O2P |
| Molecular Weight | 370.77 g/mol |
| Appearance | Pale yellow to yellow crystalline powder. (slight halide-like odor) |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, keep sealed and dry |
| Solubility (reference) | Soluble in DMSO, DMF, methanol |
| 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) | 12.5 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1976 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 2 |
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