2-[(1-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino}-2-methylpropan-2-yl)sulfanyl]acetonitrile CAS 338422-86-9
| CAS No. | 338422-86-9 |
| Molecular Formula | C12H13ClF3N3S |
| Molecular Weight | 323.76 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Compared with other compounds in its class, the molecular weight of 323.76 g/mol gives 2-[(1-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino}-2-methylpropan-2-yl)sulfanyl]acetonitrile distinctive chromatographic separation conditions and mass-spectrometry parameter settings.
CATO supplies 2-[(1-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino}-2-methylpropan-2-yl)sulfanyl]acetonitrile (CAS 338422-86-9), a certified reference material (molecular formula C12H13ClF3N3S, MW 323.76 g/mol) for analytical method development and quality control.
Owing to a nitrogen-containing heterocyclic scaffold, a nitrile group, sulfur-containing functionality, fluorine/chlorine substitution, 2-[(1-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino}-2-methylpropan-2-yl)sulfanyl]acetonitrile is typically off-white to pale yellow crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 323.76 g/mol — guide the selection of appropriate sample preparation and analytical techniques. 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.
As a certified reference material (CRM), 2-[(1-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino}-2-methylpropan-2-yl)sulfanyl]acetonitrile 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 | C12H13ClF3N3S |
| Molecular Weight | 323.76 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) | 6.0 |
| 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 |
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- 1-(Ethylsulfonyl)-2-methylbenzene (CAS 41795-37-3)
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- (1S)-2,2-diphenyl-1-(pyrrolidin-2-yl)ethan-1-ol (CAS 1902258-10-9)
- 1-((P-tolylamino)methyl)cyclopentan-1-ol (CAS 1482692-94-3)
- 4-[6-Chloro-4-(trifluoromethyl)pyridin-2-yl]piperazine-1-carboxylic acid (CAS 1992985-95-1)
- (5-Chloropentyl)(methyl)sulfane (CAS 115412-60-7)
- Tirzepatide Impurity 50 (CAS CATO-C4X-324050)
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