4-Bromo-1-butyl-1H-pyrazole-3-carboxylic acid CAS 1006493-75-9
| CAS No. | 1006493-75-9 |
| Molecular Formula | C8H11BrN2O2 |
| Molecular Weight | 247.09 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
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.
CATO supplies 4-Bromo-1-butyl-1H-pyrazole-3-carboxylic acid (CAS 1006493-75-9), a certified reference material (molecular formula C8H11BrN2O2, MW 247.09 g/mol) for analytical method development and quality control.
Structurally, 4-Bromo-1-butyl-1H-pyrazole-3-carboxylic acid (C8H11BrN2O2) 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 247.09 g/mol, it falls into the medium-molecular-weight range. The presence of an aromatic ring or conjugated system gives the compound characteristic absorption bands in the UV-Vis region, making it well suited to UV or diode-array detection (DAD).
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
Physical & Chemical Properties
| Molecular Formula | C8H11BrN2O2 |
| Molecular Weight | 247.09 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.) | 1988 |
| Halogen Content | Br-containing |
| Nitrogen Atoms | 2 |
Related Bromo Standards
- Methyl 3-(4-bromo-3-methyl-1H-pyrazol-1-yl)propanoate (CAS 1001500-84-0)
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Recommended Standards
- 2-(4-Bromo-3-methyl-1h-pyrazol-1-yl)-2-methylpropanoic acid (CAS 1006473-56-8)
- 4-Bromo-1-isobutyl-1H-pyrazole-3-carboxylic acid (CAS 1006493-78-2)
- 4-Bromo-1-isobutyl-1H-pyrazole-5-carboxylic acid (CAS 1006451-67-7)
- 4-bromo-1-sec-butyl-1H-pyrazole-5-carboxylic acid (CAS 1006494-01-4)
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