3-Bromo-6-(3-chlorophenyl)-2-methylpyrazolo[1,5-a]pyrimidine CAS 866132-40-3
| CAS No. | 866132-40-3 |
| Molecular Formula | C13H9BrClN3 |
| Molecular Weight | 322.59 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
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.
3-Bromo-6-(3-chlorophenyl)-2-methylpyrazolo[1,5-a]pyrimidine (CAS 866132-40-3), molecular formula C13H9BrClN3 and molecular weight 322.59 g/mol, is a CATO reference standard with documented purity and traceability.
Structurally, 3-Bromo-6-(3-chlorophenyl)-2-methylpyrazolo[1,5-a]pyrimidine (C13H9BrClN3) contains a nitrogen-containing heterocyclic scaffold, a nitrile group, chlorine/bromine substitution. The molecule exhibits a degree of unsaturation (DBE) of 10.0, corresponding to approximately 10 ring(s) or double-bond equivalent(s). With a molecular weight of 322.59 g/mol, it falls into the moderately-high-molecular-weight range. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
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 | C13H9BrClN3 |
| Molecular Weight | 322.59 g/mol |
| Appearance | Pale yellow to yellow crystalline powder. (slight halide-like odor, low volatility) |
| Purity | 97%+ |
| Storage | Store at 2-8°C, 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) | 10.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1987 |
| Halogen Content | Cl/Br-containing |
| Nitrogen Atoms | 3 |
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Recommended Standards
- (2-Chlorothiazol-5-yl)methyl 2,3-dichlorobenzoate (CAS 341967-80-4)
- tert-Butyl 2-(3-bromo-6-chloropyridin-2-yl)hydrazinecarboxylate (CAS 1936107-33-3)
- 6-Chloro-5-methoxy-1-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[3,2-b]pyridine (CAS 2796288-73-6)
- 4-Hydroxy-3-nitro-2-(trifluoromethoxy)pyridine-5-sulfonyl chloride (CAS 1804718-57-7)
- 5-(Piperazin-1-yl)furan-2-carbaldehyde (CAS 1094311-40-6)
- 7-(5-Methyl-2-furyl)-7,8-dihydroquinoline-2,5(1H,6H)-dione (CAS 1428139-52-9)
- 3,4-Dichloropyridine-5-boronic acid pinacol ester (CAS 1451391-08-4)
- 4-(Chloromethyl)-1-(4-isopropylbenzyl)-1H-1,2,3-triazole (CAS 1454923-96-6)
- 2,3,5-Trifluoroiodobenzene (CAS 622379-51-5)
- 4-Methoxyphenyl β-Galactopyranoside (CAS 3150-20-7)
- Sodium 2,6-Dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylate (CAS 154-85-8)
- 4-(But-3-yn-1-yl)-1,4-thiazepane (CAS 1343276-17-4)
- 1-m-Tolyl-1H-pyrazol-5-amine (CAS 127530-35-2)
- Semaglutide impurity 94 (CAS CATO-C4X-222694)
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