| CAS No. | 330645-87-9 |
| Molecular Formula | C11H15ClN5O |
| Molecular Weight | N/A |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
HCTU 1-(Bis-dimethylamino-methylene)-5-chloro-3-oxy-1H-benzotriazol-1-ium hexafluorophosphate 5-chloro-1-[bis(dimethylamino)methylene]-1h-benzotriazolium 3-oxide hexafluorophosphate N,N,N',N'-Tetramethyl-O-(6-chloro-1H-benzotriazol-1-yl)uronium hexafluorophosphate O-(6-Chlorobenzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate 330645-87-9 (CAS 330645-87-9), molecular formula C11H15ClN5OF6P and molecular weight 413.69 g/mol, is a CATO reference standard with documented purity and traceability.
The molecular framework of HCTU 1-(Bis-dimethylamino-methylene)-5-chloro-3-oxy-1H-benzotriazol-1-ium hexafluorophosphate 5-chloro-1-[bis(dimethylamino)methylene]-1h-benzotriazolium 3-oxide hexafluorophosphate N,N,N',N'-Tetramethyl-O-(6-chloro-1H-benzotriazol-1-yl)uronium hexafluorophosphate O-(6-Chlorobenzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate 330645-87-9 (C11H15ClN5OF6P) is characterized by an amide group, organophosphorus functionality, a hydroxyl group, an ether linkage, fluorine/chlorine substitution. In reversed-phase chromatography, its retention is governed primarily by the protonation state of its nitrogen-containing groups, 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.
| Molecular Formula | C11H15ClN5O F6P |
| Molecular Weight | 413.69 g/mol |
| Appearance | White to pale yellow crystalline powder. (slight halide-like odor, low volatility) |
| Purity | 97%+ |
| Storage | Store at room temperature, protect from light |
| Solubility (reference) | Soluble in DMSO, DMF, methanol |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light |
| Degree of Unsaturation (DBE) | 3.5 |
| UV Absorption | UV-absorbing |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | F/Cl-containing |
| Nitrogen Atoms | 5 |