5-(Trifluoromethyl)-3-{[5-(trifluoromethyl)pyridin-2-yl]sulfanyl}pyridine-2-carbonitrile CAS 338396-86-4
| CAS No. | 338396-86-4 |
| Molecular Formula | C13H5F6N3S |
| Molecular Weight | 349.25 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Compared with other compounds in its class, the molecular weight of 349.25 g/mol gives 5-(Trifluoromethyl)-3-{[5-(trifluoromethyl)pyridin-2-yl]sulfanyl}pyridine-2-carbonitrile distinctive chromatographic separation conditions and mass-spectrometry parameter settings.
5-(Trifluoromethyl)-3-{[5-(trifluoromethyl)pyridin-2-yl]sulfanyl}pyridine-2-carbonitrile (CAS 338396-86-4) is a high-purity analytical reference standard with the molecular formula C13H5F6N3S and a molecular weight of 349.25 g/mol.
Structurally, 5-(Trifluoromethyl)-3-{[5-(trifluoromethyl)pyridin-2-yl]sulfanyl}pyridine-2-carbonitrile (C13H5F6N3S) contains a nitrogen-containing heterocyclic scaffold, a nitrile group, sulfur-containing functionality, fluorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 10.0, corresponding to approximately 10 ring(s) or double-bond equivalent(s). With a molecular weight of 349.25 g/mol, it falls into the moderately-high-molecular-weight range. The presence of an aromatic ring or conjugated system gives the compound characteristic absorption bands in the UV-Vis region, making it well suited to UV or diode-array detection (DAD).
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.
As a certified reference material (CRM), 5-(Trifluoromethyl)-3-{[5-(trifluoromethyl)pyridin-2-yl]sulfanyl}pyridine-2-carbonitrile 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 | C13H5F6N3S |
| Molecular Weight | 349.25 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) | 10.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 3 |
| Sulfur Atoms | 1 |
Related Trifluoromethyl Standards
- 2-[[2,5-Bis(Trifluoromethyl)Phenyl]Amino]Benzoic Acid (CAS 102583-96-0)
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Recommended Standards
- 4-Chloro-N-(3-chloro-2-(piperidin-1-yl)phenyl)benzamide (CAS 860610-28-2)
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- 3-Bromo-2-(((4,6-dimethylpyrimidin-2-yl)thio)methyl)imidazo[1,2-a]pyridine (CAS 313403-98-4)
- Melphalan EP Impurity J (CAS 2724549-95-3)
- 4-Ethylbenzoyl chloride (CAS 16331-45-6)
- 1-(4-Chlorophenyl)-5-(4-nitrophenyl)-3-(trifluoromethyl)-1H-pyrazole (CAS 879131-26-7)
- 4-Mercaptotetrahydro-2h-thiopyran 1,1-dioxide (CAS 1247688-87-4)
- 5-(4-(Methylthio)phenyl)cyclohexane-1,3-dione (CAS 144128-74-5)
- 6-Hydroxy-2-thioxo-5-(p-tolyldiazenyl)-2,3-dihydropyrimidin-4(1H)-one (CAS 36137-21-0)
- 2,2,2-Trichloro-1-(4-(2-chlorobenzoyl)-1H-pyrrol-2-yl)ethan-1-one (CAS 338403-91-1)
- PhiKan-083 Hydrochloride (CAS 1050480-30-2)
- 6-Bromo-1-ethyl-1H-indole (CAS 199589-20-3)
- 2-(3-Chlorophenyl)-5-methyl-2H-1,2,3-triazol-4-amine (CAS 1708400-87-6)
- D-Leu26-Tirzepatide (CAS CATO-CPTD788908)
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