2-(3-Bromophenyl)tetrahydro-1H-[1,2,4]triazolo[1,2-a]pyridazine-1,3(2H)-dithione CAS 58745-04-3
| CAS No. | 58745-04-3 |
| Molecular Formula | C12H12BrN3S2 |
| Molecular Weight | 342.28 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of 2-(3-Bromophenyl)tetrahydro-1H-[1,2,4]triazolo[1,2-a]pyridazine-1,3(2H)-dithione is closely related to a nitrogen-containing heterocyclic scaffold, a nitrile group, sulfur-containing functionality, bromine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
2-(3-Bromophenyl)tetrahydro-1H-[1,2,4]triazolo[1,2-a]pyridazine-1,3(2H)-dithione (CAS 58745-04-3) is a high-purity analytical reference standard with the molecular formula C12H12BrN3S2 and a molecular weight of 342.28 g/mol.
The molecular framework of 2-(3-Bromophenyl)tetrahydro-1H-[1,2,4]triazolo[1,2-a]pyridazine-1,3(2H)-dithione (C12H12BrN3S2) is characterized by a nitrogen-containing heterocyclic scaffold, a nitrile group, sulfur-containing functionality, bromine substitution. In reversed-phase chromatography, its retention is governed primarily by its high hydrophobicity (logP), which provides a practical basis for HPLC-UV/DAD or LC-MS method development. The aromatic system may exhibit native fluorescence, enabling detection with a fluorescence detector (FLD).
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 | C12H12BrN3S2 |
| Molecular Weight | 342.28 g/mol |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light |
| Solubility (reference) | Soluble in DMSO, DMF, methanol |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light |
| Degree of Unsaturation (DBE) | 8.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1973 |
| Halogen Content | Br-containing |
| Nitrogen Atoms | 3 |
| Sulfur Atoms | 2 |
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Recommended Standards
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- 5-(1-(2,3-Dimethylphenoxy)ethyl)-4-methyl-4H-1,2,4-triazole-3-thiol (CAS 667413-82-3)
- (2,6-Dibromo-4-methoxyphenyl)methanol (CAS 1643918-95-9)
- (2,2-Dimethyl-1,3-dioxolane-4,5-diyl)bis(methylene) bis(4-methylbenzenesulfonate) (CAS 136881-55-5)
- N-(2-(2-Methyl-5-nitro-1H-imidazol-1-yl)ethyl)benzamide (CAS 55455-18-0)
- 4-Allyl-3-bromo-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine (CAS 2379242-01-8)
- N-(4-(difluoromethyl)-3-fluorophenyl)azinate (CAS 89641-03-2)
- Bumetanide Impurity 78 (CAS CATO-C4X-198679)
- Semaglutide（sodium salt） (CAS CATO-C4X-222619)
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