2-((2,6-Dichlorobenzyl)thio)-5-(3-(trifluoromethyl)phenyl)pyrimidine CAS 339101-85-8
| CAS No. | 339101-85-8 |
| Molecular Formula | C18H11Cl2F3N2S |
| Molecular Weight | 415.26 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
2-((2,6-Dichlorobenzyl)thio)-5-(3-(trifluoromethyl)phenyl)pyrimidine (CAS 339101-85-8) is a high-purity analytical reference standard with the molecular formula C18H11Cl2F3N2S and a molecular weight of 415.26 g/mol.
The molecular framework of 2-((2,6-Dichlorobenzyl)thio)-5-(3-(trifluoromethyl)phenyl)pyrimidine (C18H11Cl2F3N2S) is characterized by a nitrogen-containing heterocyclic scaffold, a nitrile group, sulfur-containing functionality, 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-((2,6-Dichlorobenzyl)thio)-5-(3-(trifluoromethyl)phenyl)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 | C18H11Cl2F3N2S |
| Molecular Weight | 415.26 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 | 1 |
Related Dichlorobenzyl Standards
- (S)-2-(4-((3,4-dichlorobenzyl)oxy)phenyl)-2,3-dihydrobenzo[b][1,4]dioxine-6-carbaldehyde (CAS 1246828-97-6)
- (E)-3-(1-(2,4-Dichlorobenzyl)-6-(trifluoromethyl)-1H-indazol-3-yl)acrylic acid (CAS 877766-45-5)
- 3-(1-(2,4-Dichlorobenzyl)-6-(trifluoromethyl)-1H-indazol-3-yl)acrylic acid (CAS 877773-32-5)
- (R)-1-(2-((2,4-Dichlorobenzyl)oxy)-2-(2,4-dichlorophenyl)ethyl)-1H-imidazole (CAS 47447-53-0)
- (S)-1-(2-((2,4-Dichlorobenzyl)oxy)-2-(2,4-dichlorophenyl)ethyl)-1H-imidazole (CAS 47447-52-9)
- 2-(2,4-Dichlorobenzyl)-6-phenyl-5-(piperidin-1-yl)pyridazin-3(2H)-one (CAS 478029-35-5)
- 2-(3,4-Dichlorobenzyl)-6-phenyl-5-(piperidin-1-yl)pyridazin-3(2H)-one (CAS 478029-39-9)
- Ethyl 3-((2,6-dichlorobenzyl)oxy)pyrido[1,2-a]indole-10-carboxylate (CAS 478067-94-6)
Recommended Standards
- 2-(2,4-Dichlorophenoxy)-N-(5,7-dimethoxy-2H-[1,2,4]thiadiazolo[2,3-a]pyrimidin-2-ylidene)acetamide (CAS 849598-33-0)
- 2-{[(3,4-dichlorophenyl)methyl]sulfanyl}-5-[3-(trifluoromethyl)phenyl]pyrimidine (CAS 339101-89-2)
- Dapaconazole (CAS 1269726-67-1)
- Ethyl 2,2-bis[(2-chloro-6-fluorophenyl)methyl]-3-oxobutanoate (CAS 400082-53-3)
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Why CATO?
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