tert-Butyl 3-(bromomethyl)-1H-pyrazole-1-carboxylate CAS 186551-69-9
| CAS No. | 186551-69-9 |
| Molecular Formula | C9H13BrN2O2 |
| Molecular Weight | 261.12 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Compared with other compounds in its class, the molecular weight of 261.12 g/mol gives tert-Butyl 3-(bromomethyl)-1H-pyrazole-1-carboxylate distinctive chromatographic separation conditions and mass-spectrometry parameter settings.
CATO supplies tert-Butyl 3-(bromomethyl)-1H-pyrazole-1-carboxylate (CAS 186551-69-9), a certified reference material (molecular formula C9H13BrN2O2, MW 261.12 g/mol) for analytical method development and quality control.
Structurally, tert-Butyl 3-(bromomethyl)-1H-pyrazole-1-carboxylate (C9H13BrN2O2) contains a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, bromine 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 261.12 g/mol, it falls into the medium-molecular-weight range. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
As a certified reference material (CRM), tert-Butyl 3-(bromomethyl)-1H-pyrazole-1-carboxylate 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.
Physical & Chemical Properties
| Molecular Formula | C9H13BrN2O2 |
| Molecular Weight | 261.12 g/mol |
| Appearance | Off-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 sealed and dry, 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; Hygroscopic; reseal immediately after opening; Contains ester bond; hydrolyzes under strong alkaline conditions |
| Degree of Unsaturation (DBE) | 4.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2010 |
| Halogen Content | Br-containing |
| Nitrogen Atoms | 2 |
Recommended Standards
- Methyl 4-bromo-1-isobutyl-1H-pyrazole-3-carboxylate (CAS 1856095-78-7)
- Ethyl 3-(3-bromo-1H-pyrazol-1-yl)butanoate (CAS 1883289-98-2)
- Ethyl 4-bromo-1-propyl-1H-pyrazole-3-carboxylate (CAS 1856075-20-1)
- Ethyl 3-bromo-1-isopropyl-1H-pyrazole-4-carboxylate (CAS 1946817-05-5)
- 3-hydroxyphenyl N-methylcarbamate (CAS 19189-01-6)
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- 3-(Trifluoromethoxy)tetrahydro-4H-pyran-4-one (CAS 2306277-15-4)
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