12-chloro-3-oxa-7,9,11-triazatricyclo[6.4.0.0²,⁶]dodeca-1(12),2(6),4,8,10-pentaene CAS 2180983-55-3
| CAS No. | 2180983-55-3 |
| Molecular Formula | C8H14ClN3O |
| Molecular Weight | 203.67 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
As a certified reference material (CRM), 12-chloro-3-oxa-7,9,11-triazatricyclo[6.4.0.0²,⁶]dodeca-1(12),2(6),4,8,10-pentaene meets the metrological traceability requirements of ISO/IEC 17025 laboratories. Batch-to-batch consistency is monitored via control charts to guarantee comparable assigned values across lots.
12-chloro-3-oxa-7,9,11-triazatricyclo[6.4.0.0²,⁶]dodeca-1(12),2(6),4,8,10-pentaene (CAS 2180983-55-3) is a high-purity analytical reference standard with the molecular formula C8H14ClN3O and a molecular weight of 203.67 g/mol.
Structurally, 12-chloro-3-oxa-7,9,11-triazatricyclo[6.4.0.0²,⁶]dodeca-1(12),2(6),4,8,10-pentaene (C8H14ClN3O) contains an amide group, a hydroxyl group, an ether linkage, chlorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 3.0, corresponding to approximately 3 ring(s) or double-bond equivalent(s). With a molecular weight of 203.67 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.
Physical & Chemical Properties
| Molecular Formula | C8H14ClN3O |
| Molecular Weight | 203.67 g/mol |
| Appearance | White to pale yellow crystalline powder. (slight halide-like odor, faint amine-like odor) |
| 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) | 3.0 |
| UV Absorption | UV-absorbing |
| CAS Registry Year (est.) | 1998 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 3 |
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Recommended Standards
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- Naphthalene-1-sulfinic acid (CAS 607-33-0)
- 4-Chloro-2-cyclopropyl-6-(o-tolyl)pyrimidine (CAS 1159816-17-7)
- 2-(2-(4H-1,2,4-triazol-4-yl)phenoxy)acetic acid (CAS 1092250-54-8)
- 3-((Cyanomethyl)thio)-N-(4-fluorophenyl)thiophene-2-carboxamide (CAS 303150-71-2)
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- Prilocaine impurity 37 (CAS CATO-C4X-193437)
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