2-{[(3-chlorophenyl)methyl]sulfanyl}-5-[3-(trifluoromethyl)phenyl]pyrimidine CAS 339101-99-4
| CAS No. | 339101-99-4 |
| Molecular Formula | C18H12ClF3N2S |
| Molecular Weight | 380.81 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of 2-{[(3-chlorophenyl)methyl]sulfanyl}-5-[3-(trifluoromethyl)phenyl]pyrimidine is closely related to a nitrogen-containing heterocyclic scaffold, a nitrile group, sulfur-containing functionality, fluorine/chlorine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
CATO supplies 2-{[(3-chlorophenyl)methyl]sulfanyl}-5-[3-(trifluoromethyl)phenyl]pyrimidine (CAS 339101-99-4), a certified reference material (molecular formula C18H12ClF3N2S, MW 380.81 g/mol) for analytical method development and quality control.
Based on its molecular formula C18H12ClF3N2S, 2-{[(3-chlorophenyl)methyl]sulfanyl}-5-[3-(trifluoromethyl)phenyl]pyrimidine contains a nitrogen-containing heterocyclic scaffold, a nitrile group, sulfur-containing functionality, fluorine/chlorine substitution; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 380.81 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. 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), 2-{[(3-chlorophenyl)methyl]sulfanyl}-5-[3-(trifluoromethyl)phenyl]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 | C18H12ClF3N2S |
| Molecular Weight | 380.81 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/Cl-containing |
| Nitrogen Atoms | 2 |
| Sulfur Atoms | 1 |
Related chlorophenyl Standards
- 2-{[(2-chlorophenyl)methyl]sulfanyl}-5-[3-(trifluoromethyl)phenyl]pyrimidine (CAS 339101-97-2)
- 2-{[(4-chlorophenyl)methyl]sulfanyl}-5-[3-(trifluoromethyl)phenyl]pyrimidine (CAS 339101-71-2)
- 5-(4-Chlorophenyl)-2-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)pyrimidine (CAS 344281-83-0)
- 2-((5-(3-Chlorophenyl)oxazol-2-yl)thio)-N-(2,4-difluorophenyl)acetamide (CAS 1040665-00-6)
- 4-[(2E)-3-(3-Chlorophenyl)prop-2-enoyl]phenyl 2-fluorobenzoate (CAS 298216-00-9)
- 5-(2-Chlorophenyl)-N-(3-(cyclopropylcarbamoyl)phenyl)furan-2-carboxamide (CAS 878585-83-2)
- N-(4-Chlorophenyl)-11,15-dioxa-16-azatetracyclo[8.7.0.0^{2,7}.0^{13,17}]heptadeca-1(10),2(7),3,5,8-pentaene-16-carboxamide (CAS 477853-74-0)
- 5-(4-Chlorophenyl)-1-(4-fluorophenyl)-3-(3-methoxyphenyl)-4,5-dihydro-1H-pyrazole (CAS 478050-15-6)
Recommended Standards
- 2-(2-(2-Chlorophenoxy)acetyl)-N-(4-nitrophenyl)hydrazine-1-carbothioamide (CAS 889600-37-7)
- 1,3,5-Tribromo-2-(difluoromethoxy)benzene (CAS 920981-13-1)
- 1-([1,1'-Biphenyl]-4-yl)-3-((4-chloro-3-nitrophenyl)amino)propan-1-one (CAS 882748-41-6)
- 1,2,4-Tribromo-5-(difluoromethoxy)benzene (CAS 1261650-61-6)
- 5-Mercapto-1-methyl-1H-1,2,3-triazole-4-carbothioamide (CAS 100097-69-6)
- 2-((6-Chloropyrimidin-4-yl)oxy)quinoxaline (CAS 1065484-81-2)
- 2-Amino-4-(phenylsulfanyl)butanoic acid (CAS 52162-05-7)
- (1-Phenyl-1H-1,2,3-triazol-4-yl)methyl (3-chlorophenyl)carbamate (CAS 338757-18-9)
- Ketoprofen Impurity 56 (CAS 157740-17-5)
- Fluralaner Impurity 7 (CAS CATO-C4X-21807)
- N-(3-Methoxyphenyl)-3-(6-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)propanamide (CAS 1105202-98-9)
- (S)-2-(3,5-bis(trifluoromethyl)benzyl)-3-((tert-butoxycarbonyl)amino)propanoic acid (CAS 1260590-43-9)
- Deoxycytidine triphosphate (trisodium salt) (CAS 109909-44-6)
- Des-Phe22-Tirzepatide (CAS CATO-CPTD788951)
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