2-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepine-3-carbonyl chloride CAS 2745127-50-6
| CAS No. | 2745127-50-6 |
| Molecular Formula | C10H17ClN2O |
| Molecular Weight | 216.71 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Structurally, 2-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepine-3-carbonyl chloride (C10H17ClN2O) 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 216.71 g/mol, it falls into the medium-molecular-weight range. The high carbon-to-hydrogen ratio imparts good lipophilicity, allowing liquid-liquid extraction with non-polar solvents such as n-hexane or ethyl acetate.
2-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepine-3-carbonyl chloride (CAS 2745127-50-6), molecular formula C10H17ClN2O and molecular weight 216.71 g/mol, is a CATO reference standard with documented purity and traceability.
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 | C10H17ClN2O |
| Molecular Weight | 216.71 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.) | 2002 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 2 |
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Recommended Standards
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- 3-chloro-1-ethyl-1,2-dihydroquinoxalin-2-one (CAS 869199-17-7)
- 1-Methyl-3-oxo-1,2,3,4-tetrahydroquinoxaline-6-carbaldehyde (CAS 711024-26-9)
- Fluconazole Impurity 20 (1H-1,2,4-Triazole Sodium Salt) (CAS 43177-42-0)
- (4Z)-3-tert-Butyl-1-(4-nitrophenyl)-4-[(thiophen-2-yl)methylidene]-4,5-dihydro-1H-pyrazol-5-one (CAS 1024716-31-1)
- N-Pentyl-2,2-diphenylacetamide (CAS 334932-63-7)
- 3-(Trimethylsilyl)pyridin-4-amine (CAS 17379-44-1)
- Octaacetyl Xylotriose (CAS 67226-05-5)
- 5-(2-Methyl-1,3-thiazol-4-yl)thiophene-2-sulfonyl chloride (CAS 215434-25-6)
- N-(3-bromobenzyl)-1-(tetrahydro-2H-pyran-4-yl)methanamine (CAS 1340461-79-1)
- 1,4-Diazabicyclo[3.3.1]nonan-2-one (CAS 1935284-30-2)
- Neuropeptide Y (18-36) (CAS 114495-97-5)
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