6-Chloro-[1,2,4]triazolo[4,3-b]pyridazine-3-thiol CAS 111317-12-5
| CAS No. | 111317-12-5 |
| Molecular Formula | C5H3ClN4S |
| Molecular Weight | 186.62 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
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.
6-Chloro-[1,2,4]triazolo[4,3-b]pyridazine-3-thiol (CAS 111317-12-5) is a high-purity analytical reference standard with the molecular formula C5H3ClN4S and a molecular weight of 186.62 g/mol.
The molecular framework of 6-Chloro-[1,2,4]triazolo[4,3-b]pyridazine-3-thiol (C5H3ClN4S) is characterized by a nitrile group, sulfur-containing functionality, chlorine substitution. In reversed-phase chromatography, its retention is governed primarily by the protonation state of its nitrogen-containing groups, which provides a practical basis for HPLC-UV/DAD or LC-MS method development. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
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.
Physical & Chemical Properties
| Molecular Formula | C5H3ClN4S |
| Molecular Weight | 186.62 g/mol |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, 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 |
| Degree of Unsaturation (DBE) | 6.0 |
| UV Absorption | UV-absorbing |
| CAS Registry Year (est.) | 1988 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 4 |
| Sulfur Atoms | 1 |
Related Chloro Standards
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Recommended Standards
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- 1-methyl-1,5-dihydro-4H-pyrrolo[3,2-c]pyridin-4-one (CAS 27381-99-3)
- Halofuginone Impurity 1 (CAS 1091605-42-3)
- 2-(Chloromethyl)-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole 753479-67-3 9230AE C10H6ClF3N2O (CAS 753479-67-3)
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