2-(((6-Chloropyridin-3-yl)methyl)thio)-6-(4-methoxyphenyl)-4-(trifluoromethyl)nicotinonitrile CAS 664999-86-4
| CAS No. | 664999-86-4 |
| Molecular Formula | C20H13ClF3N3OS |
| Molecular Weight | 435.85 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Compared with other compounds in its class, the molecular weight of 435.85 g/mol gives 2-(((6-Chloropyridin-3-yl)methyl)thio)-6-(4-methoxyphenyl)-4-(trifluoromethyl)nicotinonitrile distinctive chromatographic separation conditions and mass-spectrometry parameter settings.
2-(((6-Chloropyridin-3-yl)methyl)thio)-6-(4-methoxyphenyl)-4-(trifluoromethyl)nicotinonitrile (CAS 664999-86-4) is a high-purity analytical reference standard with the molecular formula C20H13ClF3N3OS and a molecular weight of 435.85 g/mol.
2-(((6-Chloropyridin-3-yl)methyl)thio)-6-(4-methoxyphenyl)-4-(trifluoromethyl)nicotinonitrile (C20H13ClF3N3OS) contains a steroid core, an amide group, sulfur-containing functionality, a hydroxyl group, an ether linkage, fluorine/chlorine substitution. Halogen substitution raises its density and boiling point, its high carbon-to-hydrogen ratio confers good lipid solubility; these physicochemical properties determine the optimal preparation and storage of its standard solutions. 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.
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 | C20H13ClF3N3OS |
| Molecular Weight | 435.85 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) | 14.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1985 |
| Halogen Content | F/Cl-containing |
| Nitrogen Atoms | 3 |
| Sulfur Atoms | 1 |
Related Chloropyridin Standards
- N'-(6-Chloropyridin-2-yl)-2,5-bis(2,2,2-trifluoroethoxy)benzohydrazide (CAS 338785-31-2)
- 1523406-39-4 (S)-1-((5-Chloropyridin-3-yl)methyl)-8-((R)-3-methylmorpholino)-2-(trifluoromethyl)-3,4-dihydro-1H-pyrimido[1,2-a]pyrimidin-6(2H)-one MFCD28411361 (CAS 1523406-39-4)
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- 1,3-Bis((6-chloropyridin-3-yl)methyl)-2-phenyl-1H-indole (CAS 861211-50-9)
- 1-((2-((2-Chloropyridin-4-yl)amino)-4'-(cyclopropylmethyl)-[4,5'-bipyrimidin]-2'-yl)amino)-2-methylpropan-2-ol (CAS 1383716-33-3)
- 1-(5-Chloropyridin-2-yl)-3-(2-(4-ethoxy-3-fluoropyridin-2-yl)ethyl)thiourea (CAS 265672-03-5)
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- 2-(2-Chloropyridin-3-yl)-1-(2,4-dichlorobenzyl)-5,6-dimethyl-1H-benzo[d]imidazole (CAS 344279-04-5)
Recommended Standards
- 1-(4-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxy}benzenesulfonyl)-4-methylpiperazine (CAS 344277-97-0)
- 3-((2-Chlorobenzyl)sulfonyl)-2-hydroxy-2-methyl-N-(3-(trifluoromethyl)phenyl)propanamide (CAS 339275-65-9)
- (E)-N-(2-((3-chloro-5-(trifluoromethyl)pyridin-2-yl)amino)ethyl)-2-(2-methoxyphenyl)ethene-1-sulfonamide (CAS 478246-30-9)
- 3-[(2-Chlorophenyl)methanesulfonyl]-2-hydroxy-2-methyl-N-[4-(trifluoromethyl)phenyl]propanamide (CAS 338956-22-2)
- 1-Hydroxy-3-phenylcyclobutane-1-carboxylic acid (CAS 2008758-13-0)
- 8-(Trifluoromethyl)-1,4-dioxaspiro[4.5]Decan-8-ol (CAS 1248081-37-9)
- Dimethyl 2,3-diphenylbutanedioate (CAS 19020-59-8)
- 2-chloro-5,6-dihydro-4H-1,3-benzothiazol-7-one (CAS 330203-55-9)
- 1-(2,6-Dimethyl-phenyl)-2-(1,3-dioxolan-2-yl)-ethanone (CAS 1263365-90-7)
- 3-(Ethylsulfanyl)-N-methylcyclopentan-1-amine (CAS 1339848-08-6)
- 3-(4-phenylbutan-2-ylamino)propanenitrile (CAS 302785-50-8)
- (S)-2-Hydroxyoctanoic acid (CAS 70267-27-5)
- 4-(3,4-Dichlorobenzamido)-2-hydroxybenzoic acid (CAS 899299-08-2)
- D-Thr5-Tirzepatide (CAS CATO-CPTD788926)
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