1-((3-Chloro-5-(trifluoromethyl)pyridin-2-yl)amino)-3-cyanopropan-2-yl 3-(trifluoromethyl)benzoate CAS 339016-35-2
| CAS No. | 339016-35-2 |
| Molecular Formula | C18H12ClF6N3O2 |
| Molecular Weight | 451.75 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
1-((3-Chloro-5-(trifluoromethyl)pyridin-2-yl)amino)-3-cyanopropan-2-yl 3-(trifluoromethyl)benzoate (CAS 339016-35-2), molecular formula C18H12ClF6N3O2 and molecular weight 451.75 g/mol, is a CATO reference standard with documented purity and traceability.
1-((3-Chloro-5-(trifluoromethyl)pyridin-2-yl)amino)-3-cyanopropan-2-yl 3-(trifluoromethyl)benzoate (C18H12ClF6N3O2) contains a steroid core, an amide group, a hydroxyl group, an ether linkage, fluorine/chlorine substitution. It is notably hygroscopic, halogen substitution raises its density and boiling point, the carboxyl group imparts weak acidity; these physicochemical properties determine the optimal preparation and storage of its standard solutions. 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), 1-((3-Chloro-5-(trifluoromethyl)pyridin-2-yl)amino)-3-cyanopropan-2-yl 3-(trifluoromethyl)benzoate 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 | C18H12ClF6N3O2 |
| Molecular Weight | 451.75 g/mol |
| Appearance | Pale yellow to yellow crystalline powder. (slight halide-like odor, low volatility) |
| Purity | 97%+ |
| Storage | Store in a cool place (≤25°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/Cl-containing |
| Nitrogen Atoms | 3 |
Related Chloro Standards
- 2-((4-Chloro-N-(2,4-dichloro-5-methoxyphenyl)phenyl)sulfonamido)-N,N-dimethylacetamide (CAS 338961-60-7)
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- (3-(3-((2-Chloro-6-fluorobenzyl)oxy)phenyl)-1H-pyrazol-1-yl)(4-nitrophenyl)methanone (CAS 477712-56-4)
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- 1-(tert-Butoxycarbonyl)decahydroquinoline-2-carboxylic acid (CAS 253136-30-0)
- (4-Methoxy-[1,1'-biphenyl]-2-yl)methanol (CAS 52008-92-1)
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- 4-Bromo-5-fluoro-1,3-benzodioxole (CAS 1427428-42-9)
- Mast Cell Degranulating (MCD) Peptide HR-2 (CAS 80388-04-1)
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