5-Chloro-4-phenyl-1,2,3-thiadiazole CAS 53646-00-7
| CAS No. | 53646-00-7 |
| Molecular Formula | C8H5ClN2S |
| Molecular Weight | 196.66 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Compared with other compounds in its class, the molecular weight of 196.66 g/mol gives 5-Chloro-4-phenyl-1,2,3-thiadiazole distinctive chromatographic separation conditions and mass-spectrometry parameter settings.
5-Chloro-4-phenyl-1,2,3-thiadiazole (CAS 53646-00-7), molecular formula C8H5ClN2S and molecular weight 196.66 g/mol, is a CATO reference standard with documented purity and traceability.
5-Chloro-4-phenyl-1,2,3-thiadiazole (C8H5ClN2S) contains a nitrogen-containing heterocyclic scaffold, a nitrile group, sulfur-containing functionality, chlorine substitution. Halogen substitution raises its density and boiling point; these physicochemical properties determine the optimal preparation and storage of its standard solutions. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
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 | C8H5ClN2S |
| Molecular Weight | 196.66 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) | 7.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1972 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 2 |
| Sulfur Atoms | 1 |
Related Chloro Standards
- 2-Chloro-4-(pyridin-4-yl)thiazole (CAS 103317-31-3)
- 4-Chloro-2-(thiophen-3-yl)pyrimidine (CAS 1156237-51-2)
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- 4-chloro-1,2-dihydrophthalazine-1-thione (CAS 14062-52-3)
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Recommended Standards
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- 7-Chloroquinazoline-4(3H)-thione (CAS 6967-32-4)
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