3-(2-(2,4-Difluorophenoxy)-6-oxo-6H-pyrido[1,2-b]pyridazin-5-yl)-4-methoxybenzoic acid CAS 940891-82-7
| CAS No. | 940891-82-7 |
| Molecular Formula | C22H14F2N2O5 |
| Molecular Weight | 424.35 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
3-(2-(2,4-Difluorophenoxy)-6-oxo-6H-pyrido[1,2-b]pyridazin-5-yl)-4-methoxybenzoic acid (CAS 940891-82-7), molecular formula C22H14F2N2O5 and molecular weight 424.35 g/mol, is a CATO reference standard with documented purity and traceability.
Structurally, 3-(2-(2,4-Difluorophenoxy)-6-oxo-6H-pyrido[1,2-b]pyridazin-5-yl)-4-methoxybenzoic acid (C22H14F2N2O5) contains a flavonoid core, an amide group, a hydroxyl group, an ether linkage, fluorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 16.0, corresponding to approximately 16 ring(s) or double-bond equivalent(s). With a molecular weight of 424.35 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.
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 | C22H14F2N2O5 |
| Molecular Weight | 424.35 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) | 16.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1987 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 2 |
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Recommended Standards
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- 2-Bromoveratryl-d3 Alcohol (CAS 1216919-75-3)
- 4,7,8-Trihydroxy-3-(4-hydroxyphenyl)dibenzo[b,d]furan-1,2-diyl diacetate (CAS 146905-24-0)
- Ethyl 6-(4-methoxy-3-nitrophenyl)-6-oxohexanoate (CAS 951885-86-2)
- N-(3-(Dimethylamino)propyl)propionimidamide hydrochloride (CAS 1427057-53-1)
- 6-α-D-Glucopyranosyl Maltotriose (CAS 34336-93-1)
- 2-(Trifluoromethyl)-7,8-dihydroquinolin-6(5H)-one (CAS 944895-70-9)
- 2-Bromo-6-(difluoromethyl)-5-iodonicotinonitrile (CAS 1805010-31-4)
- Thiorantraniliprole (CAS 1442448-92-1)
- (E)-{[1-(4-bromophenyl)-1H-pyrrol-3-yl]methylidene}amino acetate (CAS 860785-99-5)
- tert-butyl N-[(3R,4S)-4-hydroxytetrahydrofuran-3-yl]carbamate (CAS 1931964-25-8)
- n-Isopentyl-4-isopropylcyclohexan-1-amine (CAS 1344205-95-3)
- Osteogenic Growth Peptide (10-14) (CAS 105250-85-9)
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