5-Bromo-1-(4-chlorophenyl)-1H-pyrazole-4-carboxylic acid CAS 1399654-57-9
| CAS No. | 1399654-57-9 |
| Molecular Formula | C10H6BrClN2O2 |
| Molecular Weight | 301.52 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The molecular framework of 5-Bromo-1-(4-chlorophenyl)-1H-pyrazole-4-carboxylic acid (C10H6BrClN2O2) is characterized by a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, chlorine/bromine substitution. In reversed-phase chromatography, its retention is governed primarily by its high hydrophobicity (logP), which provides a practical basis for HPLC-UV/DAD or LC-MS method development. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.
5-Bromo-1-(4-chlorophenyl)-1H-pyrazole-4-carboxylic acid (CAS 1399654-57-9), molecular formula C10H6BrClN2O2 and molecular weight 301.52 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.
As a certified reference material (CRM), 5-Bromo-1-(4-chlorophenyl)-1H-pyrazole-4-carboxylic acid 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 | C10H6BrClN2O2 |
| Molecular Weight | 301.52 g/mol |
| Appearance | Pale yellow to yellow crystalline powder. (slight halide-like odor, faint amine-like odor, low volatility) |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, keep sealed and dry |
| 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) | 8.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1991 |
| Halogen Content | Cl/Br-containing |
| Nitrogen Atoms | 2 |
Related Bromo Standards
- 1-(4-Bromo-2-chlorophenyl)-1h-pyrazole-3-carboxylic acid (CAS 1152925-68-2)
- Methyl 6-bromo-4-chloroquinazoline-2-carboxylate (CAS 1188085-66-6)
- 4-Bromo-3-(4-chlorophenyl)-1H-pyrazole-5-carboxylic acid (CAS 1238351-85-3)
- 4-Bromo-5-(3-chlorophenyl)-1h-pyrazole-3-carboxylic acid (CAS 1350443-32-1)
- 4-Bromo-3-(2-chlorophenyl)-1H-pyrazole-5-carboxylic acid (CAS 1354830-42-4)
- 5-Bromo-1-(2-chlorophenyl)-1H-pyrazole-4-carboxylic acid (CAS 1399655-37-8)
- 5-(4-bromo-3-chlorophenyl)-2-furoic acid (CAS 1698596-16-5)
- 2-Bromo-5-chloro-8-hydroxy-7-methylnaphthalene-1,4-dione (CAS 52431-62-6)
Recommended Standards
- 1-(5-(4-Bromophenyl)-1,3,4-oxadiazol-2-yl)-2-chloroethan-1-one (CAS 929972-58-7)
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- Dihydrosphingosine (CAS 3102-56-5)
- 3-Bromo-1-(2-chlorophenyl)-1H-pyrazole-5-carboxylic acid (CAS 871239-17-7)
- 2-Phenylimidazo[1,2-a]pyrimidin-3-amine (CAS 89185-48-8)
- 10-[3-(Dansylamido)propyl]-1,4,7-trithia-10-azacyclododecane (CAS 868365-96-2)
- 7-Fluoro-1,1,3-trimethyl-2,3-dihydro-1H-inden-4-amine (CAS 1383809-95-7)
- 7-Methyl-2-(4-methylpiperidin-1-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidine-3-carbaldehyde (CAS 433325-87-2)
- 1-Isopentyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole (CAS 847818-77-3)
- tert-butyl N-[(2S,3S)-2-(hydroxymethyl)tetrahydrofuran-3-yl]carbamate (CAS 1801627-57-5)
- (R)-tert-Butyl 2-(((2-fluorophenyl)amino)methyl)pyrrolidine-1-carboxylate (CAS 924907-26-6)
- 2-isothiocyanato-6-methylpyridine (CAS 52648-44-9)
- S-(Difluoromethyl) benzenesulfonothioate (CAS 2022186-75-8)
- Allo-Thr5-Tirzepatide (CAS CATO-CPTD788934)
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