4-(3-Fluorophenyl)-5-methyl-2-(3-(trifluoromethyl)benzyl)-2,4-dihydro-3H-1,2,4-triazol-3-one CAS 860786-30-7
| CAS No. | 860786-30-7 |
| Molecular Formula | C17H13F4N3O |
| Molecular Weight | 351.30 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of 4-(3-Fluorophenyl)-5-methyl-2-(3-(trifluoromethyl)benzyl)-2,4-dihydro-3H-1,2,4-triazol-3-one is closely related to a steroid core, an amide group, a hydroxyl group, an ether linkage, fluorine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
CATO supplies 4-(3-Fluorophenyl)-5-methyl-2-(3-(trifluoromethyl)benzyl)-2,4-dihydro-3H-1,2,4-triazol-3-one (CAS 860786-30-7), a certified reference material (molecular formula C17H13F4N3O, MW 351.30 g/mol) for analytical method development and quality control.
Structurally, 4-(3-Fluorophenyl)-5-methyl-2-(3-(trifluoromethyl)benzyl)-2,4-dihydro-3H-1,2,4-triazol-3-one (C17H13F4N3O) contains a steroid core, an amide group, a hydroxyl group, an ether linkage, fluorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 11.0, corresponding to approximately 11 ring(s) or double-bond equivalent(s). With a molecular weight of 351.30 g/mol, it falls into the moderately-high-molecular-weight range. The presence of an aromatic ring or conjugated system gives the compound characteristic absorption bands in the UV-Vis region, making it well suited to UV or diode-array detection (DAD).
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
As a certified reference material (CRM), 4-(3-Fluorophenyl)-5-methyl-2-(3-(trifluoromethyl)benzyl)-2,4-dihydro-3H-1,2,4-triazol-3-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 | C17H13F4N3O |
| Molecular Weight | 351.30 g/mol |
| Appearance | Pale yellow to yellow crystalline powder. (slight halide-like odor, low volatility) |
| 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) | 11.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1987 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 3 |
Related Fluorophenyl Standards
- 4-(2-Fluorophenyl)-5-methyl-2-(3-(trifluoromethyl)benzyl)-2,4-dihydro-3H-1,2,4-triazol-3-one (CAS 860784-86-7)
- 4-(4-Fluorophenyl)-5-methyl-2-(3-(trifluoromethyl)benzyl)-2,4-dihydro-3H-1,2,4-triazol-3-one (CAS 860651-08-7)
- 1-(2-Fluorophenyl)-6-(4-fluorophenyl)-1h-pyrazolo[3,4-b]pyridine-4-carboxylic acid (CAS 1011396-46-5)
- 5-[(4-Fluorophenyl)sulfanyl]-3-phenyl-6-(trifluoromethyl)-1,2,4-triazine (CAS 478048-09-8)
- 2-((4-Fluorophenyl)thio)-N-(perfluorophenyl)acetamide (CAS 329778-06-5)
- (4-Fluorophenyl){1-[4-methyl-6-(trifluoromethyl)-2-pyrimidinyl]-1H-1,2,3-triazol-4-yl}methanone (CAS 861211-62-3)
- N-(5-(4-Fluorophenyl)-1,3,4-oxadiazol-2-yl)-3-(trifluoromethyl)benzamide (CAS 865285-47-8)
- (3-(4-Fluorophenyl)-1-phenyl-1H-pyrazol-4-yl)(morpholino)methanone (CAS 380463-06-9)
Recommended Standards
- Ethyl 2-methyl-5-(((trifluoromethyl)sulfonyl)oxy)-1H-indole-3-carboxylate (CAS 1796574-02-1)
- Methyl 2-(2,2-difluoro-2-(4-methoxyphenoxy)acetamido)benzoate (CAS 303151-15-7)
- tert-Butyl 5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)indole-1-carboxylate 1-tert-butoxycarbonylindole-5-boronic acid, pinacol ester 1-tert-butoxycarbonyl-indole-5-boronic acid, pinacol ester n-boc-indole-5-boronic acid pinacol ester tert-butyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indole-1 carboxylate tert-butyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1h-indole-1-carboxylate 1-Boc-indole-5-boronic acid pinacol ester 1-(tert-Butyloxy-carbonyl)-indole-5-boronic acid pinacol ester 777061-36-6 (CAS 777061-36-6)
- methyl 2-{[2-(ethoxycarbonyl)-4,4,4-trifluoro-3-oxobut-1-enyl]amino}thiophene-3-carboxylate (CAS 648859-87-4)
- N-(4-(Thiazolo[5,4-b]pyridin-2-yl)phenyl)butyramide (CAS 863588-39-0)
- 2,6-Di-tert-butylpyridine tetrafluoroborate (CAS 147614-19-5)
- Boc-Arg-OH (CAS 13726-76-6)
- (R)-N-Isopropylpyrrolidin-3-amine hydrochloride (CAS 1998701-22-6)
- Ethyl (1S,3S,4S,5S)-rel-2-Boc-5-hydroxy-2-azabicyclo[2.2.1]heptane-3-carboxylate (CAS 1173294-47-7)
- 1-Bromo-2,5-dimethoxy-3-methylbenzene (CAS 13523-12-1)
- Boc-N-Me-D-Tyr-OH · DCHA (CAS 178208-61-2)
- 1401425-28-2 [2-(4-Methoxyphenyl)ethyl][(2-methoxy-1,3-thiazol-5-yl)methyl]amine hydrochloride MFCD22123364 (CAS 1401425-28-2)
- 4-(2-Methyl-1,3-dioxolan-2-yl)piperidine (CAS 94626-55-8)
- Semaglutide Impurity 163 (x TFA Salt) (CAS CATO-C4X-2226163)
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