5-(Benzo[d]isoxazol-3-ylmethyl)-4-(4-chlorophenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione CAS 860785-62-2
| CAS No. | 860785-62-2 |
| Molecular Formula | C16H11ClN4OS |
| Molecular Weight | 342.80 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Compared with other compounds in its class, the molecular weight of 342.80 g/mol gives 5-(Benzo[d]isoxazol-3-ylmethyl)-4-(4-chlorophenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione distinctive chromatographic separation conditions and mass-spectrometry parameter settings.
5-(Benzo[d]isoxazol-3-ylmethyl)-4-(4-chlorophenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione (CAS 860785-62-2), molecular formula C16H11ClN4OS and molecular weight 342.80 g/mol, is a CATO reference standard with documented purity and traceability.
Structurally, 5-(Benzo[d]isoxazol-3-ylmethyl)-4-(4-chlorophenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione (C16H11ClN4OS) contains a nitrogen-containing heterocyclic scaffold, an amide group, sulfur-containing functionality, a hydroxyl group, an ether linkage, chlorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 13.0, corresponding to approximately 13 ring(s) or double-bond equivalent(s). With a molecular weight of 342.80 g/mol, it falls into the moderately-high-molecular-weight range. 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.
As a certified reference material (CRM), 5-(Benzo[d]isoxazol-3-ylmethyl)-4-(4-chlorophenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione meets the metrological traceability requirements of ISO/IEC 17025 laboratories. Batch-to-batch consistency is monitored via control charts to guarantee comparable assigned values across lots.
Physical & Chemical Properties
| Molecular Formula | C16H11ClN4OS |
| Molecular Weight | 342.80 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) | 13.0 |
| 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 Benzo Standards
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Recommended Standards
- 4-Chloro-2-cyclohexyl-1,3-dioxoisoindoline-5-sulfonamide (CAS 40739-56-8)
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- 4-[(3-Chlorophenyl)sulfanyl]-2-phenylpyrimidine-5-carboxylic acid (CAS 477854-55-0)
- 6-(sec-Butoxy)-2-((3-chlorophenyl)sulfonyl)pyrimidin-4(3H)-one (CAS 284681-80-7)
- N-(benzo[d][1,3]dioxol-5-yl)-1-phenylcyclopentane-1-carboxamide (CAS 867327-79-5)
- 2-(Furan-2-yl)-2-methylpropan-1-amine (CAS 1176042-11-7)
- Tert-butyl n-[3-phenyl-2-(piperidin-2-yl)propyl]carbamate (CAS 1306606-80-3)
- 4-((2,2-Dimethylthietan-3-yl)amino)pentan-1-ol (CAS 1865973-86-9)
- 4- Methoxy-[1,1-biphenyl] - 4- methanamine (CAS 769073-20-3)
- N-(3-chloro-1,4-dioxo-1,4-dihydronaphthalen-2-yl)-N-(3,4-dichlorobenzyl)acetamide (CAS 866157-73-5)
- Poly[imino(1,2-ethanediyl)] (CAS 26913-06-4)
- 5-Chloro-2-(pyrrolidine-1-carbonyl)aniline (CAS 898541-51-0)
- Moxifloxacin Impurity 75 (CAS CATO-C4X-107475)
- Acetyl Hexapeptide-39 (CAS 1382088-38-1)
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