(4,5-Dichloro-6-oxo-1,6-dihydropyridazin-1-yl)methyl 4-(trifluoromethyl)benzoate CAS 439107-91-2
| CAS No. | 439107-91-2 |
| Molecular Formula | C13H7Cl2F3N2O3 |
| Molecular Weight | 367.11 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Owing to a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, fluorine/chlorine substitution, (4,5-Dichloro-6-oxo-1,6-dihydropyridazin-1-yl)methyl 4-(trifluoromethyl)benzoate is typically pale yellow to yellow crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 367.11 g/mol — guide the selection of appropriate sample preparation and analytical techniques. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
(4,5-Dichloro-6-oxo-1,6-dihydropyridazin-1-yl)methyl 4-(trifluoromethyl)benzoate (CAS 439107-91-2), molecular formula C13H7Cl2F3N2O3 and molecular weight 367.11 g/mol, is a CATO reference standard with documented purity and traceability.
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.
CATO manufactures (4,5-Dichloro-6-oxo-1,6-dihydropyridazin-1-yl)methyl 4-(trifluoromethyl)benzoate under ISO 17034:2016 accreditation with dual CNAS and ANAB accreditation. Each batch is characterized by orthogonal methods and supplied with a full Certificate of Analysis (COA), ensuring metrological traceability.
Physical & Chemical Properties
| Molecular Formula | C13H7Cl2F3N2O3 |
| Molecular Weight | 367.11 g/mol |
| Appearance | Pale yellow to yellow crystalline powder. (slight halide-like odor, low volatility) |
| Purity | 97%+ |
| Storage | Store at 2-8°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) | 9.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | F/Cl-containing |
| Nitrogen Atoms | 2 |
Related Dichloro Standards
- (4,5-Dichloro-6-oxopyridazin-1(6H)-yl)methyl 3-(trifluoromethyl)benzoate (CAS 439107-90-1)
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- 4,6-Dichloro-5-nitro-2-[4-(1-piperidinylmethyl)phenyl]pyrimidine (CAS 1353506-55-4)
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Recommended Standards
- 5-Chloro-1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-N-hydroxy-2-oxo-1,2-dihydropyridine-3-carboximidamide (CAS 1823184-12-8)
- 4-Iodo-3-methyl-1-[2-(trifluoromethyl)phenyl]-1h-pyrazol-5-amine (CAS 1156901-32-4)
- 1-(2,6-Dichlorobenzyl)-3-nitro-5-(trifluoromethyl)pyridin-2(1H)-one (CAS 339009-22-2)
- 4-Fluoro-N-(1-hydroxy-3,3-dimethyl-1,3-dihydrobenzo[c][1,2]oxaborol-6-yl)-2-(trifluoromethyl)benzamide (CAS 1266084-51-8)
- 1-(1H-imidazol-2-yl)-1-(3-methylphenyl)ethan-1-ol (CAS 944268-08-0)
- 1-[2-(propan-2-yl)-1,3-thiazol-4-yl]ethan-1-amine dihydrochloride (CAS 1306603-67-7)
- 3-Methyl-N-(5-nitro-1,3-thiazol-2-yl)benzamide (CAS 60338-58-1)
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- 9-(Pyren-1-yl)-5H-spiro[dibenzo[c,h]acridine-7,9'-fluoren]-5-one (CAS 1447967-93-2)
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- CAS CATO-C4X-32408 (CAS CATO-C4X-32408)
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