3-((4-Methylbenzyl)sulfinyl)-4-phenyl-5-((3-(trifluoromethyl)phenoxy)methyl)-4H-1,2,4-triazole CAS 955961-69-0
| CAS No. | 955961-69-0 |
| Molecular Formula | C24H20F3N3O2S |
| Molecular Weight | 471.49 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
3-((4-Methylbenzyl)sulfinyl)-4-phenyl-5-((3-(trifluoromethyl)phenoxy)methyl)-4H-1,2,4-triazole (C24H20F3N3O2S) contains a steroid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage, fluorine substitution. It is notably hygroscopic, halogen substitution raises its density and boiling point, the carboxyl group imparts weak acidity; these physicochemical properties determine the optimal preparation and storage of its standard solutions. The aromatic system may exhibit native fluorescence, enabling detection with a fluorescence detector (FLD).
3-((4-Methylbenzyl)sulfinyl)-4-phenyl-5-((3-(trifluoromethyl)phenoxy)methyl)-4H-1,2,4-triazole (CAS 955961-69-0), molecular formula C24H20F3N3O2S and molecular weight 471.49 g/mol, is a CATO reference standard with documented purity and traceability.
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.
The assigned purity is verified by mass-balance and quantitative NMR (qNMR) approaches, with the expanded uncertainty reported at a 95% confidence level (k=2). Batch homogeneity and stability are independently assessed for every lot.
Physical & Chemical Properties
| Molecular Formula | C24H20F3N3O2S |
| Molecular Weight | 471.49 g/mol |
| Purity | 97%+ |
| Storage | Store in a cool place (≤25°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) | 15.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1987 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 3 |
| Sulfur Atoms | 1 |
Related Methylbenzyl Standards
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- 3-((4-Methylbenzyl)thio)-4-phenyl-5-((3-(trifluoromethyl)phenoxy)methyl)-4H-1,2,4-triazole (CAS 383145-78-6)
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Recommended Standards
- (4-Hydroxy-4-(((4-methoxybenzyl)sulfonyl)methyl)piperidin-1-yl)(3-(trifluoromethyl)phenyl)methanone (CAS 866019-57-0)
- 3-Amino-6-(4-methoxyphenyl)-N-(1-phenylethyl)-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide (CAS 500272-94-6)
- (2-Nitro-9H-fluoren-9-ylidene)triphenylphosphorane (CAS 7151-67-9)
- GW0742 (CAS 317318-84-6)
- 2-Bromo-5-(methylsulfonyl)benzenesulfonamide (CAS 1345021-19-3)
- Tert-butyl 4,4-difluoro-2,9-diazaspiro[5.5]Undecane-2-carboxylate (CAS 1263181-42-5)
- 8-Bromo-2,3,4,5-tetrahydro-1H-benzo[c]azepin-5-amine dihydrobromide (CAS 1798793-67-5)
- 2-[(3-Thienylmethyl)amino]-1-butanol hydrochloride (CAS 1049713-29-2)
- 8-methyl-3-nitro-naphthalene-1-carboxylic acid (CAS 2387596-13-4)
- 9-Octadecenoic acid, 12-hydroxy-, 2-hydroxyethyl ester, (9Z,12R)-, polymer with 1,1'-methylenebis[4-isocyanatobenzene] (CAS 71394-34-8)
- 2-Amino-5-chloro-3-methylpyridine hemihydrate (CAS 1173019-45-8)
- 2-Amino-1-(4-methyl-1,4-diazepan-1-yl)ethanone (CAS 1042564-27-1)
- 1-(4-((4-Fluorobenzyl)oxy)phenyl)ethan-1-one (CAS 72293-96-0)
- Neuropeptide GE (CAS 134748-04-2)
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