4-[(4-Chlorophenyl)sulfanyl]-2-(pyridin-2-yl)-6-(trifluoromethyl)pyrimidine CAS 338418-08-9
| CAS No. | 338418-08-9 |
| Molecular Formula | C16H9ClF3N3S |
| Molecular Weight | 367.78 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of 4-[(4-Chlorophenyl)sulfanyl]-2-(pyridin-2-yl)-6-(trifluoromethyl)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.
4-[(4-Chlorophenyl)sulfanyl]-2-(pyridin-2-yl)-6-(trifluoromethyl)pyrimidine (CAS 338418-08-9) is a high-purity analytical reference standard with the molecular formula C16H9ClF3N3S and a molecular weight of 367.78 g/mol.
Structurally, 4-[(4-Chlorophenyl)sulfanyl]-2-(pyridin-2-yl)-6-(trifluoromethyl)pyrimidine (C16H9ClF3N3S) contains a nitrogen-containing heterocyclic scaffold, a nitrile group, sulfur-containing functionality, fluorine/chlorine 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 367.78 g/mol, it falls into the moderately-high-molecular-weight range. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.
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.
The assigned purity is verified by mass-balance and quantitative NMR (qNMR) approaches, with the expanded uncertainty reported at a 95% confidence level (k=2). Batch homogeneity and stability are independently assessed for every lot.
Physical & Chemical Properties
| Molecular Formula | C16H9ClF3N3S |
| Molecular Weight | 367.78 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 | 3 |
| Sulfur Atoms | 1 |
Related Chlorophenyl Standards
- 5-[(4-Chlorophenyl)sulfanyl]-3-phenyl-6-(trifluoromethyl)-1,2,4-triazine (CAS 383148-38-7)
- 3-(4-Chlorophenyl)-1-methyl-4-[3-(trifluoromethyl)benzoyl]pyrrolidine (CAS 343374-74-3)
- 6-(4-chlorophenyl)-1-(2-fluorophenyl)-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid (CAS 1011397-66-2)
- 1-(4-Chlorophenyl)-5-[(E)-[(4-fluorophenyl)methylidene]amino]-6-imino-2-oxo-1,2,3,6-tetrahydropyrimidine-4-carbonitrile (CAS 1048915-26-9)
- 3-(4-Chlorophenyl)-5-(3-fluoro-4-methoxyphenyl)-6-methylpyrazolo[1,5-a]pyrimidine (CAS 861207-17-2)
- 5-[(4-Chlorophenyl)methoxy]-2-(4-fluorophenyl)-7-methylimidazo[1,2-a]pyrimidine (CAS 866050-73-9)
- 2-[(4-Chlorophenyl)amino]-4-(4-nitrophenyl)-6-oxo-1,6-dihydropyrimidine-5-carbonitrile (CAS 1348555-04-3)
- 4-(2-Chlorophenyl)-5-methyl-2-(3-(trifluoromethyl)benzyl)-2,4-dihydro-3H-1,2,4-triazol-3-one (CAS 861205-97-2)
Recommended Standards
- 4-(4-(2-Chloro-5-nitrophenyl)buta-1,3-dien-1-yl)benzene-1-sulfonyl fluoride (CAS 31368-34-0)
- 4-(4-(2-Chloro-4-nitrophenyl)buta-1,3-dien-1-yl)benzene-1-sulfonyl fluoride (CAS 24892-96-4)
- N-(5-Benzoyl-6-methyl-2-oxo-2H-pyran-3-yl)-3-chlorobenzenecarboxamide (CAS 339009-29-9)
- 3-Chloro-4-(4-(4-nitrophenyl)buta-1,3-dien-1-yl)benzene-1-sulfonyl fluoride (CAS 31368-23-7)
- 1-(5-Methylthiophen-2-yl)ethan-1-amine (CAS 603951-41-3)
- (S)-2-Amino-2-(6-methoxypyridin-3-yl)ethanol (CAS 1071435-68-1)
- 5-Ethyl-N-(2-(4-phenylpiperazin-1-yl)ethyl)thiophene-2-sulfonamide (CAS 1049441-33-9)
- 2-Tert-butyl-4-[(4-chlorophenyl)methylidene]-1,2,3,4-tetrahydroacridine-9-carboxylic acid (CAS 380437-35-4)
- Ceftriaxone Impurity 17 (CAS CATO-C4X-116317)
- 3-(2-Methoxyethoxy)-N-(3-propoxybenzyl)aniline (CAS 1040686-55-2)
- Methyl 2,4-dicyclohexylquinoline-3-carboxylate (CAS 753487-76-2)
- N-Ethyl-2-(2-((2-fluorobenzyl)thio)-5-(hydroxymethyl)-1H-imidazol-1-yl)acetamide (CAS 921564-14-9)
- 8-Methoxy-7-methylquinoline-5,6-dione (CAS 97603-19-5)
- Semaglutide Impurity 143 (CAS CATO-C4X-2226143)
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