Methyl 2-{[3-cyano-6-methyl-4-(trifluoromethyl)pyridin-2-yl]sulfanyl}benzoate CAS 478049-72-8
| CAS No. | 478049-72-8 |
| Molecular Formula | C16H11F3N2O2S |
| Molecular Weight | 352.33 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
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.
CATO supplies Methyl 2-{[3-cyano-6-methyl-4-(trifluoromethyl)pyridin-2-yl]sulfanyl}benzoate (CAS 478049-72-8), a certified reference material (molecular formula C16H11F3N2O2S, MW 352.33 g/mol) for analytical method development and quality control.
Structurally, Methyl 2-{[3-cyano-6-methyl-4-(trifluoromethyl)pyridin-2-yl]sulfanyl}benzoate (C16H11F3N2O2S) contains a nitrogen-containing heterocyclic scaffold, an amide group, a sulfone group, a hydroxyl group, an ether linkage, fluorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 11.0, corresponding to approximately 11 ring(s) or double-bond equivalent(s). With a molecular weight of 352.33 g/mol, it falls into the moderately-high-molecular-weight range. The aromatic system may exhibit native fluorescence, enabling detection with a fluorescence detector (FLD).
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.
Physical & Chemical Properties
| Molecular Formula | C16H11F3N2O2S |
| Molecular Weight | 352.33 g/mol |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, keep sealed and dry |
| Solubility (reference) | Soluble in DMSO, DMF, methanol |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; Hygroscopic; reseal immediately after opening; Contains ester bond; hydrolyzes under strong alkaline conditions |
| Degree of Unsaturation (DBE) | 11.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 2 |
| Sulfur Atoms | 1 |
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Recommended Standards
- 5-Methyl-2-((8-(trifluoromethyl)quinolin-4-yl)amino)thiophene-3-carboxylic acid (CAS 39978-04-6)
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- 5-(2-Methanesulfinylphenyl)-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole (CAS 339099-83-1)
- 4-Methyl-1-{2-nitro-4-[(trifluoromethyl)sulfonyl]phenyl}piperidine (CAS 879348-52-4)
- Methyl 9-Acridinecarboxylate (CAS 5132-81-0)
- N-(4-methoxyphenyl)-1-(phenylsulfonyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide (CAS 477872-22-3)
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- Ticagrelor Impurity 137 (CAS 504-17-6)
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- 2-(1-Methylpiperidin-4-yl)ethanamine (CAS 20845-38-9)
- 81988-89-8 UH11FDQ454 Ramoplanin A(sub 3) Ramoplanin A3 (S)-2-(3-Chloro-4-hydroxyphenyl)-N-(N(sup 2)-((2Z,4Z)-8-methyl-2,4-nonadienoyl)-(S)-asparaginyl-(2S,3S)-3-hydroxyasparaginyl-(R)-2-(p-hydroxyphenyl)glycyl-(R)-ornithyl-(2R,3R)-allothreonyl-2-(p-hydroxyphenyl)glycyl-2-(p-hydroxyphenyl)glycyl-(2S,3S)-allothreonyl-(S)-phenylalanyl-(R)-ornithyl-(S)-2-(p-((2-O-alpha-D-mannopyranosyl-alpha-D-mannopyranosyl)oxy)phenyl)glycyl-(2R,3R)-allothreonyl-(S)-2-(p-hydroxyphenyl)glycylglycyl-(S)-leucyl-(R)-alanyl)glycine psi1-lactone Ramoplanin A 1 (peptide moiety), 1-(N(sup 2)-methyl-1-oxo-2,4-nonadienyl)-L-asparagine)-11-(L-2-(4-((2-O-alpha-D-mannopyranosyl-alpha-D-mannopyranosyl)oxy)phenyl)glycine)-, (Z,Z)- UNII-UH11FDQ454 (CAS 81988-89-8)
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