2-(4-Chlorophenyl)-2-{6-[(4-chlorophenyl)(cyano)(morpholin-4-yl)methyl]pyridazin-3-yl}-2-(morpholin-4-yl)acetonitrile CAS 439111-85-0
| CAS No. | 439111-85-0 |
| Molecular Formula | C28H26Cl2N6O2 |
| Molecular Weight | 549.45 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Owing to a steroid core, an amide group, a hydroxyl group, an ether linkage, chlorine substitution, 2-(4-Chlorophenyl)-2-{6-[(4-chlorophenyl)(cyano)(morpholin-4-yl)methyl]pyridazin-3-yl}-2-(morpholin-4-yl)acetonitrile is typically pale yellow to yellow crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 549.45 g/mol — guide the selection of appropriate sample preparation and analytical techniques. The aromatic system may exhibit native fluorescence, enabling detection with a fluorescence detector (FLD).
2-(4-Chlorophenyl)-2-{6-[(4-chlorophenyl)(cyano)(morpholin-4-yl)methyl]pyridazin-3-yl}-2-(morpholin-4-yl)acetonitrile (CAS 439111-85-0), molecular formula C28H26Cl2N6O2 and molecular weight 549.45 g/mol, is a CATO reference standard with documented purity and traceability.
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
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 | C28H26Cl2N6O2 |
| Molecular Weight | 549.45 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 | 6 |
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Recommended Standards
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- 5-Amino-6-hydroxy-2-(trifluoromethyl)pyrimidin-4(3H)-one (CAS 1513-71-9)
- 3-((Tetrahydro-2H-pyran-4-yl)amino)pyrrolidine-2,5-dione (CAS 1189133-99-0)
- 1,4-Bis(5-(pyridin-4-yl)-1,3,4-oxadiazol-2-yl)benzene (CAS 61843-05-8)
- 7-Bromo-4,4-difluoro-3,4-dihydronaphthalen-1(2H)-one (CAS 1415108-26-7)
- Methyl 4-aminobenzoate hydrochloride (CAS 63450-84-0)
- 2-Chloro-6,7-dimethoxyquinolin-4-amine (CAS 1174005-73-2)
- 2-[(2-Furylmethyl)amino]-6-methyl-5-pentylpyrimidin-4(3H)-one (CAS 669717-49-1)
- Apixaban Impurity 110 (CAS 473927-63-8)
- Semaglutide impurity 84 (CAS CATO-C4X-222684)
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