2-({5-chloro-1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-6-oxo-1,6-dihydropyridazin-4-yl}(methyl)amino)ethyl 2,6-difluorobenzoate CAS 338400-01-4
| CAS No. | 338400-01-4 |
| Molecular Formula | C20H13Cl2F5N4O3 |
| Molecular Weight | 523.24 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of 2-({5-chloro-1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-6-oxo-1,6-dihydropyridazin-4-yl}(methyl)amino)ethyl 2,6-difluorobenzoate is closely related to a steroid core, an amide group, a hydroxyl group, an ether linkage, fluorine/chlorine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
2-({5-chloro-1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-6-oxo-1,6-dihydropyridazin-4-yl}(methyl)amino)ethyl 2,6-difluorobenzoate (CAS 338400-01-4), molecular formula C20H13Cl2F5N4O3 and molecular weight 523.24 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, fluorine/chlorine substitution, 2-({5-chloro-1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-6-oxo-1,6-dihydropyridazin-4-yl}(methyl)amino)ethyl 2,6-difluorobenzoate is typically pale yellow to yellow crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 523.24 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).
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.
As a certified reference material (CRM), 2-({5-chloro-1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-6-oxo-1,6-dihydropyridazin-4-yl}(methyl)amino)ethyl 2,6-difluorobenzoate 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.
Physical & Chemical Properties
| Molecular Formula | C20H13Cl2F5N4O3 |
| Molecular Weight | 523.24 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) | 13.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | F/Cl-containing |
| Nitrogen Atoms | 4 |
Related chloro Standards
- 3-Chloro-2-[(1E)-(4-chlorophenyl)({2-[2-nitro-4-(trifluoromethyl)phenyl]hydrazin-1-ylidene})methyl]-5-(trifluoromethyl)pyridine (CAS 338770-77-7)
- (E)-[1-(4-{4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl}phenyl)ethylidene][(4-chlorophenyl)methoxy]amine (CAS 337919-67-2)
- 1-(2-(2-Chloro-6H-indolo[2,3-b]quinoxalin-6-yl)acetyl)-4-(4-(dimethylamino)benzylidene)-3-methyl-1H-pyrazol-5(4H)-one (CAS 119457-15-7)
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Recommended Standards
- 2-((4-Allyl-5-(pyridin-2-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(2,6-dibromo-4-methylphenyl)acetamide (CAS 585560-04-9)
- 2-Deoxyguanosine-5-O-(1-thiotriphosphate) (CAS 80902-28-9)
- 2'-Deoxyguanosine-5'-O-(α-thio)triphosphate (CAS 82337-56-2)
- Ornidazole Impurity 85 (CAS CATO-C4X-133185)
- 4-(chloromethyl)-5-methyl-pyridazine (CAS 1956376-21-8)
- 4-Bromo-2-cyano-6-formylbenzenesulfonyl chloride (CAS 1805485-84-0)
- 2-(Quinolin-3-yl)ethan-1-ol (CAS 1000548-45-7)
- 2-fluorobenzene-1-carboximidamide, acetic acid (CAS 1955530-54-7)
- Tucatinib Impurity 61 (E-Isomer) (CAS CATO-C4X-260561)
- 2-[4-(Piperidinocarbonyl)phenyl]benzonitrile (CAS 1365272-35-0)
- 7-Isopropyl-1-azaspiro[3.5]nonane (CAS 1482783-54-9)
- Remdesivir Impurity 25 (CAS CATO-C4X-210025)
- 3,5-Dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indazole (CAS 2134622-76-5)
- Semaglutide impurity 23 (CAS CATO-C4X-222623)
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