2-(3-Chloro-2-methylphenyl)-4-(3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl)phthalazin-1(2H)-one CAS 478045-85-1
| CAS No. | 478045-85-1 |
| Molecular Formula | C23H14Cl2N4O2 |
| Molecular Weight | 449.29 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
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.
2-(3-Chloro-2-methylphenyl)-4-(3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl)phthalazin-1(2H)-one (CAS 478045-85-1), molecular formula C23H14Cl2N4O2 and molecular weight 449.29 g/mol, is a CATO reference standard with documented purity and traceability.
Owing to a steroid core, an amide group, a hydroxyl group, an ether linkage, chlorine substitution, 2-(3-Chloro-2-methylphenyl)-4-(3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl)phthalazin-1(2H)-one is typically pale yellow to yellow crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 449.29 g/mol — guide the selection of appropriate sample preparation and analytical techniques. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.
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 | C23H14Cl2N4O2 |
| Molecular Weight | 449.29 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) | 18.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 4 |
Related Chloro Standards
- 2-(3-Chloro-2-methylphenyl)-4-(3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl)phthalazin-1(2H)-one (CAS 478045-84-0)
- 2-(3-Chloro-2-methylphenyl)-4-(3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl)phthalazin-1(2H)-one (CAS 478045-83-9)
- 4-((3-Chloro-5-(trifluoromethyl)pyridin-2-yl)methyl)-N-(4-chlorophenyl)piperazine-1-carbothioamide (CAS 1311278-34-8)
- 1-(3-Chloro-5-trifluoromethyl-pyridin-2-ylmethyl)-piperidine-4-carbothioic acid S-(4-chloro-phenyl) ester (CAS 1311279-18-1)
- Chloro(ethylcyclopentadienyl)(triphenylphosphinenickel(II) (CAS 149272-90-2)
- (E)-({1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-1H-pyrazol-5-yl}methylidene)[(2,6-dichlorophenyl)methoxy]amine (CAS 318958-92-8)
- N-(2-chloro-5-(trifluoromethyl)phenyl)-3-(2,6-dichlorophenyl)-5-methylisoxazole-4-carboxamide (CAS 349131-13-1)
- 2-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-4-(4-methylphenyl)-1H,4H,5H-indeno[1,2-d]pyrimidin-5-one (CAS 691873-09-3)
Recommended Standards
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