4-[3-[3-Carboxy-5-Oxo-1-(2,2,2-Trifluoroethyl)-2H-Pyrazol-4-Yl]Prop-2-Enylidene]-5-Oxo-1-(2,2,2-Trifluoroethyl)Pyrazole-3-Carboxylic Acid CAS 76552-35-7
| CAS No. | 76552-35-7 |
| Molecular Formula | C15H10F6N4O6 |
| Molecular Weight | 456.25 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
As a certified reference material (CRM), 4-[3-[3-Carboxy-5-Oxo-1-(2,2,2-Trifluoroethyl)-2H-Pyrazol-4-Yl]Prop-2-Enylidene]-5-Oxo-1-(2,2,2-Trifluoroethyl)Pyrazole-3-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.
CATO supplies 4-[3-[3-Carboxy-5-Oxo-1-(2,2,2-Trifluoroethyl)-2H-Pyrazol-4-Yl]Prop-2-Enylidene]-5-Oxo-1-(2,2,2-Trifluoroethyl)Pyrazole-3-Carboxylic Acid (CAS 76552-35-7), a certified reference material (molecular formula C15H10F6N4O6, MW 456.25 g/mol) for analytical method development and quality control.
Structurally, 4-[3-[3-Carboxy-5-Oxo-1-(2,2,2-Trifluoroethyl)-2H-Pyrazol-4-Yl]Prop-2-Enylidene]-5-Oxo-1-(2,2,2-Trifluoroethyl)Pyrazole-3-Carboxylic Acid (C15H10F6N4O6) contains a flavonoid core, an amide group, a hydroxyl group, an ether linkage, fluorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 10.0, corresponding to approximately 10 ring(s) or double-bond equivalent(s). With a molecular weight of 456.25 g/mol, it falls into the moderately-high-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).
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.
Physical & Chemical Properties
| Molecular Formula | C15H10F6N4O6 |
| Molecular Weight | 456.25 g/mol |
| Appearance | Pale yellow to yellow crystalline powder. (slight halide-like odor, low volatility) |
| 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) | 10.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1978 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 4 |
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Recommended Standards
- 3-{1-[(3,4-dichlorophenyl)methyl]-2-oxo-1,2-dihydropyridin-3-yl}-1-[3-(trifluoromethyl)phenyl]urea (CAS 338755-47-8)
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- 2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-3-bromo-5-fluorobenzoic acid (CAS 2243510-53-2)
- 3-(2,3-Dichlorophenoxy)azetidine hydrochloride (CAS 1955539-70-4)
- (R)-3-(1-Aminoethyl)-2-fluorobenzonitrile (CAS 1334926-35-0)
- 2-Fluoro-5-hydroxybenzaldehyde (CAS 103438-84-2)
- 4-Chloro-N-(m-tolyl)butanamide (CAS 73863-44-2)
- methyl 2-methylpyrimidine-5-carboxylate (CAS 5571-03-9)
- 5-Oxo-1-(3,3,3-trifluoropropyl)pyrrolidine-2-carboxylic acid (CAS 1492929-78-8)
- N-(1-(2-methylthiazol-4-yl)ethyl)thietan-3-amine (CAS 1871791-65-9)
- 5-(5,5-Dimethyl-1,3-dioxan-2-YL)-3'-methoxyvalerophenone (CAS 898786-51-1)
- 3-((Pyridin-3-yloxy)methyl)-4,5,6,7-tetrahydroisoxazolo[4,5-c]pyridine (CAS 1422068-71-0)
- Tirzepatide Impurity 59 (CAS CATO-C4X-324059)
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