4-(4-Bromophenyl)-2-(3-methyl-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-4-yl)-4-oxobutanoic acid CAS 94051-80-6
| CAS No. | 94051-80-6 |
| Molecular Formula | C20H17BrN2O4 |
| Molecular Weight | 429.26 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Owing to a flavonoid core, an amide group, a hydroxyl group, an ether linkage, bromine substitution, 4-(4-Bromophenyl)-2-(3-methyl-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-4-yl)-4-oxobutanoic acid is typically pale yellow to yellow crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 429.26 g/mol — guide the selection of appropriate sample preparation and analytical techniques. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
4-(4-Bromophenyl)-2-(3-methyl-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-4-yl)-4-oxobutanoic acid (CAS 94051-80-6), molecular formula C20H17BrN2O4 and molecular weight 429.26 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.
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 | C20H17BrN2O4 |
| Molecular Weight | 429.26 g/mol |
| Appearance | Pale yellow to yellow crystalline powder. (slight halide-like odor) |
| Purity | 97%+ |
| Storage | Store in a cool place (≤25°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) | 13.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1983 |
| Halogen Content | Br-containing |
| Nitrogen Atoms | 2 |
Related Bromophenyl Standards
- Ethyl 2-{4-[2-(4-bromophenyl)-2-oxoethyl]-3-oxo-3,4-dihydroquinoxalin-2-yl}acetate (CAS 478041-09-7)
- (R)-1-(2-Bromophenyl)-3-(1-(5-(trifluoromethyl)pyridin-2-yl)pyrrolidin-3-yl)urea (CAS 501951-42-4)
- (2E)-3-(4-Bromophenyl)-1-[4-(4-methoxybenzoyl)-1-piperazinyl]-2-propen-1-one (CAS 1599432-08-2)
- N-(4-Bromophenyl)-4-hydroxy-2-oxo-1-pentyl-1,2-dihydroquinoline-3-carboxamide (CAS 300716-31-8)
- (4-Bromophenyl)(5-morpholino-4-(pyridin-2-yl)thiophen-2-yl)methanone (CAS 339023-33-5)
- {2-[(4-bromophenyl)sulfanyl]pyridin-3-yl}methyl N-(2-methylphenyl)carbamate (CAS 478031-21-9)
- Ethyl 2-((4-((4-bromophenyl)thio)-5-methoxypyrimidin-2-yl)thio)propanoate (CAS 338423-64-6)
- N-(5-(4-Bromophenyl)-1,3,4-thiadiazol-2-yl)-2,5-dichlorobenzamide (CAS 392243-76-4)
Recommended Standards
- 4-(2-(2,6-Dichloro-4-(trifluoromethyl)phenyl)hydrazono)-2,3-dihydro-4H-thieno[2,3-b]thiopyran 1,1-dioxide (CAS 478043-32-2)
- 2-Iodo-4-nitrophenol (CAS 89487-91-2)
- Cyantraniliprole Impurity A (CAS 736994-61-9)
- 5-Nitro-1-(phenylsulfonyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridine (CAS 2161305-04-8)
- 2-((2S,4R)-4-(Benzyloxy)-1-(tert-butoxycarbonyl)pyrrolidin-2-yl)acetic acid (CAS 336182-08-2)
- 7-Methoxy-2-(trifluoromethyl)pyrazolo[1,5-a]pyridine-4-carbaldehyde (CAS 909718-83-8)
- 1-(2-fluorobenzyl)-1H-pyrazol-3-amine,HCl (CAS 1158592-31-4)
- 3-Fluoropropyl acetate (CAS 353-05-9)
- (3ar,6ar)-3a,6a-dimethyltetrahydropentalene-2,5(1H,3H)-dione 21170-10-5 cis-Tetrahydro-3a,6a-dimethylpentalene-2,5(1H,3H)-dione (CAS 21170-10-5)
- Rabeprazole Impurity 30 (CAS 1807988-36-8)
- 4-Hydroxypiperidin-1-yl-((4-phenylethynyl)phenyl)methanone (CAS 393110-43-5)
- Pivmecillinam Impurity 11 (CAS CATO-C4X-232311)
- 5α-CHOLESTAN-3-ONE (CAS 566-88-1)
- Semaglutide Main Chain P29 (CAS 1169630-82-3)
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