2-{[(4-chlorophenyl)methyl]sulfanyl}-5-methoxy-4-{[3-(trifluoromethyl)phenyl]sulfanyl}pyrimidine CAS 338423-13-5
| CAS No. | 338423-13-5 |
| Molecular Formula | C19H14ClF3N2OS2 |
| Molecular Weight | 442.91 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
2-{[(4-chlorophenyl)methyl]sulfanyl}-5-methoxy-4-{[3-(trifluoromethyl)phenyl]sulfanyl}pyrimidine (CAS 338423-13-5), molecular formula C19H14ClF3N2OS2 and molecular weight 442.91 g/mol, is a CATO reference standard with documented purity and traceability.
The molecular framework of 2-{[(4-chlorophenyl)methyl]sulfanyl}-5-methoxy-4-{[3-(trifluoromethyl)phenyl]sulfanyl}pyrimidine (C19H14ClF3N2OS2) is characterized by a steroid core, an amide group, sulfur-containing functionality, a hydroxyl group, an ether linkage, fluorine/chlorine 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. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
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-chlorophenyl)methyl]sulfanyl}-5-methoxy-4-{[3-(trifluoromethyl)phenyl]sulfanyl}pyrimidine 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 | C19H14ClF3N2OS2 |
| Molecular Weight | 442.91 g/mol |
| Purity | 97%+ |
| Storage | Store at room temperature, 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/Cl-containing |
| Nitrogen Atoms | 2 |
| Sulfur Atoms | 2 |
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Recommended Standards
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- 2-Trifluoromethanesulfonylaniline (CAS 17095-18-0)
- 4-Cyclopropoxy-6-formylpicolinic acid (CAS 1243328-15-5)
- 3,3'-Oxybis(3-cyclohexyl-1,1,5,5-tetramethyl-1,5-divinyltrisiloxane) (CAS 302912-37-4)
- 7-Hydroxy-4-(pyrrolidin-1-ylmethyl)-2H-chromen-2-one (CAS 1353878-28-0)
- 3-(tert-Butyl)isoxazole-5-carbaldehyde (CAS 121604-56-6)
- 2TOMe-2Sn (CAS 1248460-50-5)
- 12,13,71,72-Tetrahydro-11H,51H-2,4,6,8-tetraaza-1,5(1,3)-diisoindolina-3,7(2,6)-dipyridinacyclooctaphane (CAS 343-44-2)
- 2-Chloro-5-fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline (CAS 1244039-65-3)
- Ethyl 2-(3-(benzylamino)propanamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate (CAS 356586-91-9)
- Tirzepatide Impurity 34 (CAS CATO-C4X-324034)
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