5-bromo-1-tert-butyl-1H-pyrazole-4-carboxylic acid CAS 98534-79-3
| CAS No. | 98534-79-3 |
| Molecular Formula | C8H11BrN2O2 |
| Molecular Weight | 247.09 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
CATO supplies 5-bromo-1-tert-butyl-1H-pyrazole-4-carboxylic acid (CAS 98534-79-3), a certified reference material (molecular formula C8H11BrN2O2, MW 247.09 g/mol) for analytical method development and quality control.
5-bromo-1-tert-butyl-1H-pyrazole-4-carboxylic acid (C8H11BrN2O2) contains a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, bromine substitution. It is notably hygroscopic, halogen substitution raises its density and boiling point, the carboxyl group imparts weak acidity; these physicochemical properties determine the optimal preparation and storage of its standard solutions. 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.
CATO manufactures 5-bromo-1-tert-butyl-1H-pyrazole-4-carboxylic acid under ISO 17034:2016 accreditation with dual CNAS and ANAB accreditation. Each batch is characterized by orthogonal methods and supplied with a full Certificate of Analysis (COA), ensuring 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.) | 1985 |
| 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)
- Methyl 3-(4-bromo-5-methyl-1h-pyrazol-1-yl)propanoate (CAS 1004643-38-2)
- 3-(4-Bromo-3-methyl-1h-pyrazol-1-yl)propanehydrazide (CAS 1004644-56-7)
- 3-(4-bromo-5-methyl-1h-pyraZol-1-yl)propanohydrazide (CAS 1004644-59-0)
- Methyl 3-(4-bromo-1h-pyrazol-1-yl)-2-methylpropanoate (CAS 1005615-47-3)
- 2-(4-Bromo-3-methyl-1h-pyrazol-1-yl)propanehydrazide (CAS 1005630-27-2)
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- 3-(4-Bromo-1h-pyrazol-1-yl)-2-methylpropanehydrazide (CAS 1005699-49-9)
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Why CATO?
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