6-(3-Chlorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole CAS 876884-32-1
| CAS No. | 876884-32-1 |
| Molecular Formula | C9H5ClN4S |
| Molecular Weight | 236.68 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
6-(3-Chlorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (CAS 876884-32-1), molecular formula C9H5ClN4S and molecular weight 236.68 g/mol, is a CATO reference standard with documented purity and traceability.
Structurally, 6-(3-Chlorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (C9H5ClN4S) contains a nitrogen-containing heterocyclic scaffold, a nitrile group, sulfur-containing functionality, chlorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 9.0, corresponding to approximately 9 ring(s) or double-bond equivalent(s). With a molecular weight of 236.68 g/mol, it falls into the medium-molecular-weight range. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.
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 | C9H5ClN4S |
| Molecular Weight | 236.68 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) | 9.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1987 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 4 |
| Sulfur Atoms | 1 |
Related Chlorophenyl Standards
- 2-(3-Chlorophenyl)-4-isocyanato-1,3-thiazole (CAS 868755-59-3)
- 6-(2-Chlorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (CAS 876884-20-7)
- 6-(4-Chlorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (CAS 876884-42-3)
- (2-Chlorophenyl)-2-propynoic acid tert-butyl ester (CAS 1072190-54-5)
- Methyl 3-(3-chlorophenyl)bicyclo[1.1.1]Pentane-1-carboxylate (CAS 131515-50-9)
- Methyl 3-(4-chlorophenyl)bicyclo[1.1.1]Pentane-1-carboxylate (CAS 131515-52-1)
- 4-(4-Chlorophenyl)-3-cyclohexene-1-carboxylic Acid (CAS 165317-79-3)
- (3-Chlorophenyl)(3-fluorophenyl)methanol (CAS 170019-18-8)
Recommended Standards
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- 4-Chloro-5-(furan-2-yl)thieno[2,3-d]pyrimidine (CAS 256507-01-4)
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- 4-Bromo-6-(difluoromethyl)-5-nitropyridin-3-ol (CAS 1805406-59-0)
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- 4-(5-Vinylpyridin-2-yl)morpholine (CAS 223556-21-6)
- (4,4-Dimethyl-4,5-dihydro-thiazol-2-yl)-(2,4-dimethyl-phenyl)-amine (CAS 519150-59-5)
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