4-(Difluoromethyl)-2-(ethylsulfonyl)-6-(4-fluorophenyl)pyrimidine CAS 832739-68-1
| CAS No. | 832739-68-1 |
| Molecular Formula | C13H11F3N2O2S |
| Molecular Weight | 316.30 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The molecular framework of 4-(Difluoromethyl)-2-(ethylsulfonyl)-6-(4-fluorophenyl)pyrimidine (C13H11F3N2O2S) is characterized by a nitrogen-containing heterocyclic scaffold, an amide group, a sulfone group, a hydroxyl group, an ether linkage, fluorine substitution. In reversed-phase chromatography, its retention is governed primarily by its high hydrophobicity (logP), which provides a practical basis for HPLC-UV/DAD or LC-MS method development. The high carbon-to-hydrogen ratio imparts good lipophilicity, allowing liquid-liquid extraction with non-polar solvents such as n-hexane or ethyl acetate.
4-(Difluoromethyl)-2-(ethylsulfonyl)-6-(4-fluorophenyl)pyrimidine (CAS 832739-68-1), molecular formula C13H11F3N2O2S and molecular weight 316.30 g/mol, is a CATO reference standard with documented purity and traceability.
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-(Difluoromethyl)-2-(ethylsulfonyl)-6-(4-fluorophenyl)pyrimidine 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 | C13H11F3N2O2S |
| Molecular Weight | 316.30 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) | 8.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1986 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 2 |
| Sulfur Atoms | 1 |
Related Difluoromethyl Standards
- 4-(Difluoromethyl)-6-(1,3-dimethyl-1h-pyrazol-4-yl)-2-(ethylsulfonyl)pyrimidine (CAS 1006327-15-6)
- 3-((3,5-Bis(difluoromethyl)-1h-pyrazol-1-yl)methyl)-4-methoxybenzaldehyde (CAS 1001518-89-3)
- 2-((5-(Difluoromethyl)-4H-1,2,4-triazol-3-yl)thio)-5-nitrobenzoic acid (CAS 1706458-87-8)
- 2-(difluoromethyl)-1-methyl-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-1,3-benzodiazole (CAS 1451215-61-4)
- 2-(Difluoromethyl)-3-nitro-4-(trifluoromethoxy)pyridine-6-acetic acid (CAS 1804857-21-3)
- 2-(Difluoromethyl)-3-nitro-4-(trifluoromethoxy)pyridine-5-acetic acid (CAS 1805086-30-9)
- 2-(Difluoromethyl)-5-nitro-3-(trifluoromethoxy)pyridine-4-acetic acid (CAS 1805086-43-4)
- 2-(Difluoromethyl)-3-nitro-5-(trifluoromethoxy)pyridine-6-acetic acid (CAS 1805203-02-4)
Recommended Standards
- 3-Amino-N-(3-trifluoromethyl-phenyl)-benzenesulfonamide (CAS 327093-05-0)
- 4-Amino-6-methyl-3-((3-(trifluoromethyl)benzyl)thio)-1,2,4-triazin-5(4H)-one (CAS 869068-01-9)
- 3',5'-Difluoro-[1,1':4',1''-terphenyl]-2',6'-dicarbonitrile (CAS 2353500-56-6)
- 4-Amino-N-(2-(trifluoromethyl)phenyl)benzenesulfonamide (CAS 860787-30-0)
- 4'-Ethylthio-2,2,2-trifluoroacetophenone (CAS 845823-09-8)
- 4-Amino-N-(5-chloro-2-ethoxyphenyl)-3-methylbenzamide (CAS 1184613-96-4)
- 4-Chloro-2-(1-methoxyethyl)-6-(1,3,5-trimethyl-1H-pyrazol-4-yl)pyrimidine (CAS 1713713-36-0)
- 5-Bromo-4-chloro-2-fluorobenzoic acid (CAS 289038-22-8)
- 3-Butoxy-4-methylbenzaldehyde (CAS 1379202-65-9)
- Phenyl (3-chlorophenyl)carbamate (CAS 50699-50-8)
- trans-3-Amino-2,2-dimethyl-cyclobutanol (CAS 1434248-03-9)
- 3-Cyclopropyl-1-methyl-1h-pyrazole-5-sulfonyl chloride (CAS 1343588-67-9)
- 1-(3-Chlorophenyl)piperidine (CAS 102563-84-8)
- Insulin Degludec Impurity 19 (CAS CATO-C4X-215719)
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