1-[(2,4-Dichlorophenyl)methyl]-4-methylpiperazine dihydrochloride CAS 21057-51-2
| CAS No. | 21057-51-2 |
| Molecular Formula | C12H16Cl2N2 |
| Molecular Weight | N/A |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Under current pharmacopoeial and regulatory frameworks, quality-control requirements for this class of reference material explicitly involve the control of targets including 1-[(2,4-Dichlorophenyl)methyl]-4-methylpiperazine dihydrochloride.
1-[(2,4-Dichlorophenyl)methyl]-4-methylpiperazine dihydrochloride (CAS 21057-51-2), molecular formula C12H16Cl2N2HCl and molecular weight 295.63 g/mol, is a CATO reference standard with documented purity and traceability.
Structurally, 1-[(2,4-Dichlorophenyl)methyl]-4-methylpiperazine dihydrochloride (C12H16Cl2N2HCl) contains a nitrogen-containing heterocyclic scaffold, a nitrile group, chlorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 4.0, corresponding to approximately 4 ring(s) or double-bond equivalent(s). With a molecular weight of 295.63 g/mol, it falls into the medium-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.
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 | C12H16Cl2N2 2*HCl |
| Molecular Weight | 295.63 g/mol |
| Appearance | Off-white to pale yellow crystalline powder. (slight halide-like odor, low volatility) |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, keep tightly closed to prevent evaporation |
| 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) | 4.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1963 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 2 |
Related Dichlorophenyl Standards
- 3-(2,5-Dichlorophenyl)propan-1-ol (CAS 1000529-99-6)
- 2-(2,4-Dichlorophenyl)-5-(4-nitrophenyl)-1H-1,2,4-triazol-3(2H)-one (CAS 1000571-77-6)
- 1-(2,4-Dichlorophenyl)-5-oxo-2,5-dihydro-1H-1,2,4-triazole-3-carboxamide (CAS 1000572-29-1)
- 1-(3,4-Dichlorophenyl)-5-oxo-N-phenyl-2,5-dihydro-1H-1,2,4-triazole-3-carboxamide (CAS 1000573-88-5)
- 1-(3,5-Dichlorophenyl)-N,N-dimethyl-5-oxo-2,5-dihydro-1H-1,2,4-triazole-3-carboxamide (CAS 1000574-30-0)
- 2-(2,4-Dichlorophenyl)-5-(3-nitrophenyl)-1H-1,2,4-triazol-3(2H)-one (CAS 1000575-62-1)
- Ethyl 1-(3,5-dichlorophenyl)-2,5-dihydro-5-oxo-1H-1,2,4-triazole-3-carboxylate (CAS 1000576-61-3)
- Ethyl 1-(3,4-dichlorophenyl)-5-oxo-2,5-dihydro-1H-1,2,4-triazole-3-carboxylate (CAS 1000576-77-1)
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