2,3,3-trichloro-1-[3-(4-fluorophenyl)-5-(methylthio)-1H-pyrazol-1-yl]prop-2-en-1-one CAS 648410-33-7
| CAS No. | 648410-33-7 |
| Molecular Formula | C13H8Cl3FN2OS |
| Molecular Weight | 365.64 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Under current pharmacopoeial and regulatory frameworks, quality-control requirements for this class of reference material explicitly involve the control of targets including 2,3,3-trichloro-1-[3-(4-fluorophenyl)-5-(methylthio)-1H-pyrazol-1-yl]prop-2-en-1-one.
CATO supplies 2,3,3-trichloro-1-[3-(4-fluorophenyl)-5-(methylthio)-1H-pyrazol-1-yl]prop-2-en-1-one (CAS 648410-33-7), a certified reference material (molecular formula C13H8Cl3FN2OS, MW 365.64 g/mol) for analytical method development and quality control.
Structurally, 2,3,3-trichloro-1-[3-(4-fluorophenyl)-5-(methylthio)-1H-pyrazol-1-yl]prop-2-en-1-one (C13H8Cl3FN2OS) contains a nitrogen-containing heterocyclic scaffold, an amide group, sulfur-containing functionality, a hydroxyl group, an ether linkage, fluorine/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 365.64 g/mol, it falls into the moderately-high-molecular-weight range. The high carbon-to-hydrogen ratio imparts good lipophilicity, allowing liquid-liquid extraction with non-polar solvents such as n-hexane or ethyl acetate.
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.
As a certified reference material (CRM), 2,3,3-trichloro-1-[3-(4-fluorophenyl)-5-(methylthio)-1H-pyrazol-1-yl]prop-2-en-1-one 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 | C13H8Cl3FN2OS |
| Molecular Weight | 365.64 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) | 9.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1985 |
| Halogen Content | F/Cl-containing |
| Nitrogen Atoms | 2 |
| Sulfur Atoms | 1 |
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Recommended Standards
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