1-(4-Chlorobenzenesulfonyl)-3-{[1-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]oxy}propan-2-ol CAS 318497-91-5
| CAS No. | 318497-91-5 |
| Molecular Formula | C14H14ClF3N2O4S |
| Molecular Weight | 398.79 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
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.
1-(4-Chlorobenzenesulfonyl)-3-{[1-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]oxy}propan-2-ol (CAS 318497-91-5) is a high-purity analytical reference standard with the molecular formula C14H14ClF3N2O4S and a molecular weight of 398.79 g/mol.
Structurally, 1-(4-Chlorobenzenesulfonyl)-3-{[1-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]oxy}propan-2-ol (C14H14ClF3N2O4S) contains a nitrogen-containing heterocyclic scaffold, an amide group, a sulfone group, a hydroxyl group, an ether linkage, fluorine/chlorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 7.0, corresponding to approximately 7 ring(s) or double-bond equivalent(s). With a molecular weight of 398.79 g/mol, it falls into the moderately-high-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.
As a certified reference material (CRM), 1-(4-Chlorobenzenesulfonyl)-3-{[1-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]oxy}propan-2-ol 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 | C14H14ClF3N2O4S |
| Molecular Weight | 398.79 g/mol |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, keep sealed and dry |
| Solubility (reference) | Soluble in DMSO, DMF, methanol |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; Hygroscopic; reseal immediately after opening; Contains ester bond; hydrolyzes under strong alkaline conditions |
| 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 Chlorobenzenesulfonyl Standards
- (2Z)-2-(4-Chlorobenzenesulfonyl)-3-(3-phenoxyphenyl)prop-2-enenitrile (CAS 803703-32-4)
- 1-(4-Chlorobenzenesulfonyl)-N'-[(1E)-(furan-2-yl)methylidene]piperidine-4-carbohydrazide (CAS 478030-78-3)
- 4-{3-[(4-chlorobenzenesulfonyl)methyl]-4-nitrophenyl}-2-methylpyrimidine (CAS 303145-55-3)
- (2Z)-2-(4-Chlorobenzenesulfonyl)-3-{[4-fluoro-2-(trifluoromethyl)phenyl]amino}prop-2-enenitrile (CAS 1025257-47-9)
- (E)-[2-(4-Chlorobenzenesulfonyl)ethylidene][(2,4-dichlorophenyl)methoxy]amine (CAS 338395-18-9)
- (E)-[2-(4-Chlorobenzenesulfonyl)ethylidene][(2,6-dichlorophenyl)methoxy]amine (CAS 338395-19-0)
- 1-(4-Chlorobenzenesulfonyl)-4-[3-(trifluoromethyl)pyridin-2-yl]piperazine (CAS 478077-42-8)
- (2E)-2-(4-Chlorobenzenesulfonyl)-3-[4-(2-fluorophenyl)piperazin-1-yl]prop-2-enenitrile (CAS 1025651-88-0)
Recommended Standards
- 3-Chloro-2-((3,4-dimethoxyphenyl)(1H-1,2,4-triazol-5-yl)methyl)-5-(trifluoromethyl)pyridine (CAS 338407-57-1)
- 1-(4-Chlorophenyl)-2-((5-(4-(trifluoromethyl)phenyl)-1,3,4-oxadiazol-2-yl)thio)ethan-1-one (CAS 477857-10-6)
- 3-(3-Chloro-5-(trifluoromethyl)pyridin-2-yl)-3-(4-methoxyphenyl)piperidine-2,6-dione (CAS 338397-68-5)
- 2-(4-Chlorophenyl)-N-(4-(trifluoromethoxy)phenyl)thiazole-4-carboxamide (CAS 303998-36-9)
- (2-(Benzyloxy)-4-bromo-6-fluorophenyl)boronic acid (CAS 1264175-59-8)
- 2-(Tert-butoxycarbonyl)-2,3,4,5-tetrahydro-1H-benzo[c]azepine-8-carboxylic acid (CAS 1158760-53-2)
- 1-cyclopropyl-1H-pyrazole-3-sulfonyl chloride (CAS 1995071-82-3)
- 1,2,4-Trichloro-3-(chloromethyl)benzene (CAS 1424-79-9)
- 3,5-Dichloro-1-methyl-1H-1,2,4-triazole (CAS 7024-71-7)
- 2-Bromo-6-phenyl-1H-pyrrolo[2,3-b]pyridine (CAS 1261884-25-6)
- 2-(4-Methoxyphenyl)ethan-1,1,2,2-d4-1-amine (CAS 2626854-44-0)
- 2-(4-Bromophenyl)-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid (CAS 1214132-91-8)
- Ticagrelor Impurity 147 (CAS CATO-C4X-1093147)
- Insulin Degludec Impurity 3 (CAS CATO-C4X-21573)
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