4-[Difluoro({[3-(trifluoromethyl)phenyl]sulfanyl})methyl]-6-methyl-2-phenylpyrimidine CAS 306979-34-0
| CAS No. | 306979-34-0 |
| Molecular Formula | C19H13F5N2S |
| Molecular Weight | 396.38 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Under current pharmacopoeial and regulatory frameworks, quality-control requirements for this class of reference material explicitly involve the control of targets including 4-[Difluoro({[3-(trifluoromethyl)phenyl]sulfanyl})methyl]-6-methyl-2-phenylpyrimidine.
4-[Difluoro({[3-(trifluoromethyl)phenyl]sulfanyl})methyl]-6-methyl-2-phenylpyrimidine (CAS 306979-34-0), molecular formula C19H13F5N2S and molecular weight 396.38 g/mol, is a CATO reference standard with documented purity and traceability.
Structurally, 4-[Difluoro({[3-(trifluoromethyl)phenyl]sulfanyl})methyl]-6-methyl-2-phenylpyrimidine (C19H13F5N2S) contains a nitrogen-containing heterocyclic scaffold, a nitrile group, sulfur-containing functionality, fluorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 12.0, corresponding to approximately 12 ring(s) or double-bond equivalent(s). With a molecular weight of 396.38 g/mol, it falls into the moderately-high-molecular-weight range. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
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-[Difluoro({[3-(trifluoromethyl)phenyl]sulfanyl})methyl]-6-methyl-2-phenylpyrimidine 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 | C19H13F5N2S |
| Molecular Weight | 396.38 g/mol |
| 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) | 12.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 2 |
| Sulfur Atoms | 1 |
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