3-(4-Bromophenyl)-1-(o-tolyl)-1H-pyrazole-5-carboxylic acid CAS 618102-67-3
| CAS No. | 618102-67-3 |
| Molecular Formula | C17H13BrN2O2 |
| Molecular Weight | 357.20 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.
CATO supplies 3-(4-Bromophenyl)-1-(o-tolyl)-1H-pyrazole-5-carboxylic acid (CAS 618102-67-3), a certified reference material (molecular formula C17H13BrN2O2, MW 357.20 g/mol) for analytical method development and quality control.
Structurally, 3-(4-Bromophenyl)-1-(o-tolyl)-1H-pyrazole-5-carboxylic acid (C17H13BrN2O2) contains a steroid core, an amide group, a hydroxyl group, an ether linkage, bromine substitution. The molecule exhibits a degree of unsaturation (DBE) of 12.0, corresponding to approximately 12 ring(s) or double-bond equivalent(s). With a molecular weight of 357.20 g/mol, it falls into the moderately-high-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.
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 | C17H13BrN2O2 |
| Molecular Weight | 357.20 g/mol |
| Appearance | Pale yellow to yellow crystalline powder. (slight halide-like odor) |
| 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) | 12.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1985 |
| Halogen Content | Br-containing |
| Nitrogen Atoms | 2 |
Related Bromophenyl Standards
- 1-(4-Bromophenyl)-3-(4-methoxyphenyl)-1H-pyrazole-4-carbaldehyde (CAS 618098-55-8)
- 1-(4-Bromophenyl)-3-(p-tolyl)-1H-pyrazole-5-carboxylic acid (CAS 618102-12-8)
- 1-(4-Bromophenyl)-6-hydroxy-3-methyl-5-phenylpyridazin-4(1H)-one (CAS 89314-18-1)
- 2-(1-(4-Bromophenyl)-3-phenyl-1H-pyrazol-4-yl)acetic acid (CAS 75821-70-4)
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- 3-(2-(4-Bromophenyl)-7-methylimidazo[1,2-a]pyridin-3-yl)acrylic acid (CAS 820245-81-6)
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Recommended Standards
- 3-(4-Bromophenyl)-1-(m-tolyl)-1H-pyrazole-5-carboxylic acid (CAS 618102-66-2)
- 3-(4-Bromophenyl)-1-(p-tolyl)-1H-pyrazole-5-carboxylic acid (CAS 618102-62-8)
- 3-(4-Bromophenyl)-1-(4-methoxyphenyl)-1H-pyrazole-4-carbaldehyde (CAS 618098-61-6)
- 4-(Benzyloxy)-7-bromo-2-naphthoic acid (CAS 591247-94-8)
- tert-Butyl (2S)-2-isopropyl-4-oxopyrrolidine-1-carboxylate (CAS 1212437-79-0)
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