(5-((4-Chlorobenzyl)thio)-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl)methanol CAS 318469-47-5
| CAS No. | 318469-47-5 |
| Molecular Formula | C13H12ClF3N2OS |
| Molecular Weight | 336.76 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Compared with other compounds in its class, the molecular weight of 336.76 g/mol gives (5-((4-Chlorobenzyl)thio)-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl)methanol distinctive chromatographic separation conditions and mass-spectrometry parameter settings.
(5-((4-Chlorobenzyl)thio)-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl)methanol (CAS 318469-47-5), molecular formula C13H12ClF3N2OS and molecular weight 336.76 g/mol, is a CATO reference standard with documented purity and traceability.
Owing to a nitrogen-containing heterocyclic scaffold, an amide group, sulfur-containing functionality, a hydroxyl group, an ether linkage, fluorine/chlorine substitution, (5-((4-Chlorobenzyl)thio)-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl)methanol is typically off-white to pale yellow crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 336.76 g/mol — guide the selection of appropriate sample preparation and analytical techniques. 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), (5-((4-Chlorobenzyl)thio)-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl)methanol 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 | C13H12ClF3N2OS |
| Molecular Weight | 336.76 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) | 7.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | F/Cl-containing |
| Nitrogen Atoms | 2 |
| Sulfur Atoms | 1 |
Related Chlorobenzyl Standards
- N-(2-Chlorobenzyl)-2-(2-(hydroxymethyl)-5-methoxy-4-oxopyridin-1(4H)-yl)acetamide (CAS 941916-25-2)
- (6-((4-Chlorobenzyl)amino)-3-nitropyridin-2-yl)glycine (CAS 329699-57-2)
- (E)-4-(2-((4-Chlorobenzyl)sulfonyl)vinyl)benzoic acid (CAS 334969-03-8)
- 4-[(2-Chlorobenzyl)sulfanyl]-3-nitrobenzenecarbaldehyde O-methyloxime (CAS 477852-29-2)
- (E)-2-(2-chlorobenzyl)-6-(4-methylstyryl)pyridazin-3(2H)-one (CAS 1164520-24-4)
- N-(2-Chlorobenzyl)-N-cyclopropyl-2-(4-(hydroxymethyl)piperidin-1-yl)acetamide (CAS 1353958-68-5)
- N-(3-Chlorobenzyl)-N-cyclopropyl-2-(4-(hydroxymethyl)piperidin-1-yl)acetamide (CAS 1353982-32-7)
- 2-((4-Chlorobenzyl)thio)-5-(4-chlorophenyl)-1,3,4-oxadiazole (CAS 119611-15-3)
Recommended Standards
- 2,4,6-Tribromophenol-1,2,3,4,5,6- (CAS 1097192-97-6)
- 3-Chloro-2-(1-(4-methyl-5-(methylthio)-4H-1,2,4-triazol-3-yl)ethyl)-5-(trifluoromethyl)pyridine (CAS 339010-64-9)
- Methyl 2-(4-chlorophenyl)-7-hydroxy-3-oxo-2,3-dihydrothieno[3,2-c]pyridazine-6-carboxylate (CAS 338405-40-6)
- Ethyl 6-amino-2-(chloromethyl)-5-cyano-4-(1-ethyl-1H-pyrazol-4-yl)-4H-pyran-3-carboxylate (CAS 1005611-67-5)
- Ethyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzofuran-2-carboxylate (CAS 736989-87-0)
- 5-(Bromomethyl)-2,2-dimethylheptane (CAS 1481772-34-2)
- 2,3-Dihydro-7,9-dihydroxycyclopenta[c][1]benzopyran-4(1H)-one (CAS 83688-40-8)
- 3-(5-Chloro-2-thienyl)-1-propene (CAS 173415-71-9)
- Ethyl 2-amino-3-(1h-imidazol-1-yl)propanoate (CAS 1248794-73-1)
- 6-Bromo-2,4-dichloroquinoline, 97% (CAS 406204-90-8)
- (1S)-1-[3-(propan-2-yloxy)phenyl]ethan-1-ol (CAS 1344939-96-3)
- 4-((1,1-Dioxidotetrahydro-2H-thiopyran-3-yl)amino)but-2-enoic acid (CAS 1704355-50-9)
- 2-[(3a,4,5,6,7,7a-Hexahydro-1H-benzimidazol-2-yl)thio]-1-(4-morpholinyl)-ethanone (CAS 447410-08-4)
- Semaglutide impurity 54 (CAS CATO-C4X-222654)
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