2-{[5-(2-fluorophenyl)-4-(4-fluorophenyl)-4h-1,2,4-triazol-3-yl]sulfanyl}acetic acid CAS 733031-05-5
| CAS No. | 733031-05-5 |
| Molecular Formula | C16H11F2N3O2S |
| Molecular Weight | 347.34 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Compared with other compounds in its class, the molecular weight of 347.34 g/mol gives 2-{[5-(2-fluorophenyl)-4-(4-fluorophenyl)-4h-1,2,4-triazol-3-yl]sulfanyl}acetic acid distinctive chromatographic separation conditions and mass-spectrometry parameter settings.
CATO supplies 2-{[5-(2-fluorophenyl)-4-(4-fluorophenyl)-4h-1,2,4-triazol-3-yl]sulfanyl}acetic acid (CAS 733031-05-5), a certified reference material (molecular formula C16H11F2N3O2S, MW 347.34 g/mol) for analytical method development and quality control.
Owing to a nitrogen-containing heterocyclic scaffold, an amide group, a sulfone group, a hydroxyl group, an ether linkage, fluorine substitution, 2-{[5-(2-fluorophenyl)-4-(4-fluorophenyl)-4h-1,2,4-triazol-3-yl]sulfanyl}acetic acid is typically pale yellow to yellow crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 347.34 g/mol — guide the selection of appropriate sample preparation and analytical techniques. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.
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.
CATO manufactures 2-{[5-(2-fluorophenyl)-4-(4-fluorophenyl)-4h-1,2,4-triazol-3-yl]sulfanyl}acetic acid under ISO 17034:2016 accreditation with dual CNAS and ANAB accreditation. Each batch is characterized by orthogonal methods and supplied with a full Certificate of Analysis (COA), ensuring metrological traceability.
Physical & Chemical Properties
| Molecular Formula | C16H11F2N3O2S |
| Molecular Weight | 347.34 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) | 12.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1986 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 3 |
| Sulfur Atoms | 1 |
Related fluorophenyl Standards
- Methyl 1-(4-fluorophenyl)-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylate (CAS 1011398-72-3)
- 1-(4-Fluorophenyl)-3-methyl-6-phenyl-1h-pyrazolo[3,4-b]pyridine-4-carboxylic acid (CAS 1011399-41-9)
- Methyl 1-(2-fluorophenyl)-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylate (CAS 1011399-45-3)
- 1-(2-fluorophenyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid (CAS 1011399-61-3)
- 1-(2-fluorophenyl)-6-(4-methylphenyl)-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid (CAS 1011399-69-1)
- 1-(4-Fluorophenyl)-6-methoxy-4-oxo-n-(oxolan-2-ylmethyl)-1,4-dihydropyridazine-3-carboxamide (CAS 1358366-99-0)
- 2-{[bis(4-fluorophenyl)-4h-1,2,4-triazol-3-yl]sulfanyl}acetic acid (CAS 733031-06-6)
- 1-(2-Fluorophenyl)-3-(3-(imidazo[1,2-a]pyrimidin-2-yl)phenyl)urea (CAS 861210-37-9)
Recommended Standards
- 2-(2,6-dioxo-3-piperidyl)-N-(3-fluoropropyl)-1-oxo-isoindoline-4-carboxamide (CAS 2401557-13-7)
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- 3-(3,4-Dimethoxybenzamido)-3-(4-fluorophenyl)propanoic acid (CAS 332052-63-8)
- 2-(2,6-Difluorophenyl)amino-5(salicylamid-5yl)-1.3-thiazole (CAS 887267-23-4)
- 3-{1-[2-(4-chlorophenoxy)acetyl]piperidin-4-yl}-4-(4-methylphenyl)-4,5-dihydro-1H-1,2,4-triazol-5-one (CAS 1775396-54-7)
- 6-Bromo-2-methylimidazo[1,2-a]pyridin-8-amine (CAS 910777-49-0)
- PD-156707 (CAS 162412-70-6)
- 6-Fluoro-3-iodo-1H-pyrrolo[3,2-c]pyridine (CAS 1190316-60-9)
- n-(2-(Tert-butylamino)-2-oxoethyl)-3-fluorobenzamide (CAS 1036162-79-4)
- Methyl 3,4,5-tribromobenzoate (CAS 205748-07-8)
- Methyl 3-bromo-7-chloro-1H-pyrrolo[3,2-b]pyridine-2-carboxylate (CAS 2231675-84-4)
- Atazanavir Impurity 12 (CAS 162536-40-5)
- Mirabegron Impurity 103 (CAS CATO-C4X-1032103)
- Tirzepatide Impurity 19 X TFA Salt (CAS CATO-C4X-324019)
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