2-(4-Chlorophenyl)tetrahydro-1H-[1,2,4]triazolo[1,2-a]pyridazine-1,3(2H)-dione CAS 58744-05-1
| CAS No. | 58744-05-1 |
| Molecular Formula | C12H12ClN3O2 |
| Molecular Weight | 265.70 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
2-(4-Chlorophenyl)tetrahydro-1H-[1,2,4]triazolo[1,2-a]pyridazine-1,3(2H)-dione (C12H12ClN3O2) contains a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, chlorine substitution. It is notably hygroscopic, halogen substitution raises its density and boiling point, the carboxyl group imparts weak acidity; these physicochemical properties determine the optimal preparation and storage of its standard solutions. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.
2-(4-Chlorophenyl)tetrahydro-1H-[1,2,4]triazolo[1,2-a]pyridazine-1,3(2H)-dione (CAS 58744-05-1) is a high-purity analytical reference standard with the molecular formula C12H12ClN3O2 and a molecular weight of 265.70 g/mol.
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 | C12H12ClN3O2 |
| Molecular Weight | 265.70 g/mol |
| Appearance | Pale yellow to yellow crystalline powder. (slight halide-like odor) |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, keep sealed and dry, keep tightly closed to prevent evaporation |
| 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) | 8.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1973 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 3 |
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- (R)-2-Hydroxy-2-(o-tolyl)acetic acid (CAS 51359-72-9)
- 4-Fluoro-2-(thiomorpholinomethyl)benzenethiol (CAS 1443307-28-5)
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- 2-((6-Oxo-4-phenyl-1,6-dihydropyrimidin-2-yl)thio)acetic acid (CAS 67466-26-6)
- 3-[2-(7-chloro-1,8-naphthyridin-3-yl)ethynyl]-1H-pyridin-2-one (CAS 2448447-47-8)
- 5-Bromo-2-[(2-methylpentyl)oxy]aniline (CAS 946699-96-3)
- Tirzepatide Impurity 36 (CAS CATO-C4X-324036)
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