2-(4-Chloro-2-fluoro-5-methoxyphenyl)-4-(difluoromethyl)-2,4-dihydro-5-methyl-3H-1,2,4-triazol-3-one CAS 97986-18-0
| CAS No. | 97986-18-0 |
| Molecular Formula | C11H9ClF3N3O2 |
| Molecular Weight | 307.66 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Compared with other compounds in its class, the molecular weight of 307.66 g/mol gives 2-(4-Chloro-2-fluoro-5-methoxyphenyl)-4-(difluoromethyl)-2,4-dihydro-5-methyl-3H-1,2,4-triazol-3-one distinctive chromatographic separation conditions and mass-spectrometry parameter settings.
2-(4-Chloro-2-fluoro-5-methoxyphenyl)-4-(difluoromethyl)-2,4-dihydro-5-methyl-3H-1,2,4-triazol-3-one (CAS 97986-18-0) is a high-purity analytical reference standard with the molecular formula C11H9ClF3N3O2 and a molecular weight of 307.66 g/mol.
Owing to a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, fluorine/chlorine substitution, 2-(4-Chloro-2-fluoro-5-methoxyphenyl)-4-(difluoromethyl)-2,4-dihydro-5-methyl-3H-1,2,4-triazol-3-one is typically off-white to pale yellow crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 307.66 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-(4-Chloro-2-fluoro-5-methoxyphenyl)-4-(difluoromethyl)-2,4-dihydro-5-methyl-3H-1,2,4-triazol-3-one 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 | C11H9ClF3N3O2 |
| Molecular Weight | 307.66 g/mol |
| Appearance | Off-white to pale yellow crystalline powder. (slight halide-like odor, low volatility) |
| 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.) | 1984 |
| Halogen Content | F/Cl-containing |
| Nitrogen Atoms | 3 |
Related Chloro Standards
- 2-(3-Chloro-5-(trifluoromethyl)pyridin-2-yl)-5-ethoxy-2,4-dihydro-3H-pyrazol-3-one (CAS 338420-89-6)
- 3-{[(4-chloro-6-methylpyrimidin-2-yl)amino]methylene}-1,1,1-trifluoropentane-2,4-dione (CAS 649665-78-1)
- 4-((3-Chloro-5-(trifluoromethyl)pyridin-2-yl)(methyl)amino)-5-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one (CAS 860650-63-1)
- Ethyl 3-chloro-2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-6-carboxylate (CAS 685108-15-0)
- 8-Chloro-1,3-dinitro-10H-phenoxazine (CAS 105261-75-4)
- 1-(4-Chloro-3-(trifluoromethyl)phenyl)-5-oxopyrrolidine-3-carboxylic acid (CAS 1799-70-8)
- 7-Chloro-6-fluoro-1-(4-fluorophenyl)-3-hydroxyquinolin-4(1H)-one (CAS 188967-75-1)
- 4-(2-chloro-4-fluorosulphonylanilino)-4-oxobut-2-enoic acid (CAS 680213-38-1)
Recommended Standards
- Urapidil impurity 100 (CAS CATO-C4X-1924100)
- Norflurazon-13C,d3 (CAS 1346603-47-1)
- 5-Bromo-3-chloro-N-(2,2-dimethylthietan-3-yl)pyridin-2-amine (CAS 1870100-35-8)
- 2-(4-Chlorophenyl)-4-(trifluoromethyl)thiazole-5-carboxylic acid (CAS 187998-87-4)
- 3,5-Dichloro-2-hydroxy-6-methoxybenzoic acid (CAS 89894-57-5)
- Ethyl 4-chloro-8-(trifluoromethyl)quinazoline-2-carboxylate (CAS 2112917-48-1)
- 4-Chloro-2-(difluoromethoxy)pyridine (CAS 1807199-46-7)
- (7-Amino-2,3-dihydrobenzo[b][1,4]dioxin-6-yl)(4-chlorophenyl)methanone (CAS 696628-26-9)
- 4-[4-(chloromethyl)-1,3-oxazol-2-yl]pyridine hydrochloride (CAS 2059976-14-4)
- 2,4-Dichloro-5-methoxyphenol (CAS 18113-13-8)
- (3,5-Dimethyl-1H-indazol-4-yl)boronic acid (CAS 1430329-49-9)
- 2-Methyltetrahydrofuran-2-carboximidamide hydrochloride (CAS 2138145-68-1)
- 3-(2-(2,5-Dioxopyrrolidin-1-yl)ethyl)-5-(phenylamino)thiazolidine-2,4-dione (CAS 1025687-77-7)
- Fragment-[3-31]-Semaglutide (CAS CATO-C4X-2226113)
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