5-(2-Fluorophenyl)-4-(2-methylpropyl)-4H-1,2,4-triazole-3-thiol CAS 694472-66-7
| CAS No. | 694472-66-7 |
| Molecular Formula | C12H14FN3S |
| Molecular Weight | 251.32 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
As a certified reference material (CRM), 5-(2-Fluorophenyl)-4-(2-methylpropyl)-4H-1,2,4-triazole-3-thiol 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.
CATO supplies 5-(2-Fluorophenyl)-4-(2-methylpropyl)-4H-1,2,4-triazole-3-thiol (CAS 694472-66-7), a certified reference material (molecular formula C12H14FN3S, MW 251.32 g/mol) for analytical method development and quality control.
The molecular framework of 5-(2-Fluorophenyl)-4-(2-methylpropyl)-4H-1,2,4-triazole-3-thiol (C12H14FN3S) is characterized by a nitrogen-containing heterocyclic scaffold, a nitrile group, sulfur-containing functionality, fluorine 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).
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 | C12H14FN3S |
| Molecular Weight | 251.32 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.) | 1985 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 3 |
| Sulfur Atoms | 1 |
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Recommended Standards
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- 5-(3-Methoxybenzylidene)-2-thioxothiazolidin-4-one (CAS 76979-31-2)
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- Methyl 5-tosyl-5H-pyrrolo[2,3-b]pyrazine-2-carboxylate (CAS 1201188-66-0)
- 3-Hydroxycycloheptane-1-carbonitrile, mixture of diastereomers (CAS 1492520-57-6)
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