1-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino}-3-cyanopropan-2-yl 4-chlorobenzoate CAS 338968-33-5
| CAS No. | 338968-33-5 |
| Molecular Formula | C17H12Cl2F3N3O2 |
| Molecular Weight | 418.20 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of 1-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino}-3-cyanopropan-2-yl 4-chlorobenzoate is closely related to a steroid core, an amide group, a hydroxyl group, an ether linkage, fluorine/chlorine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
1-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino}-3-cyanopropan-2-yl 4-chlorobenzoate (CAS 338968-33-5), molecular formula C17H12Cl2F3N3O2 and molecular weight 418.20 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 4-chlorobenzoate (C17H12Cl2F3N3O2) 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 4-chlorobenzoate 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 | C17H12Cl2F3N3O2 |
| Molecular Weight | 418.20 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
- (R)-4-chloro-6-(1-(4-chloro-2-(3-methyl-1H-pyrazol-1-yl)phenyl)-2,2,2-trifluoroethoxy)pyrimidin-2-amine (CAS 1675978-29-6)
- (3-(2-Chloro-6-fluorophenyl)-5-methylisoxazol-4-yl)(5-(chlorodifluoromethyl)-2,3-dihydro-1H-1,4-diazepin-1-yl)methanone (CAS 439096-47-6)
- (4-((3-Chloro-5-(trifluoromethyl)pyridin-2-yl)methyl)piperazin-1-yl)(4-chlorophenyl)methanone (CAS 1311278-56-4)
- 1-(3-Chloro-5-(trifluoromethyl)pyridin-2-yl)piperidin-4-one O-(4-chlorobenzyl) oxime (CAS 250714-04-6)
- 1-[3-Chloro-5-(trifluoromethyl)pyridin-2-yl]-N-(4-chlorophenyl)piperidine-4-carboxamide (CAS 337919-69-4)
- 2-(3-Chloro-5-(trifluoromethyl)pyridin-2-yl)-1-(4-(3-chlorophenyl)piperazin-1-yl)ethan-1-one (CAS 691858-21-6)
- 2-(4-(3-Chloro-5-(trifluoromethyl)pyridin-2-yl)piperazin-1-yl)-1-(4-chlorophenyl)ethan-1-one (CAS 338979-09-2)
- (E)-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]methoxy}({[3-chloro-5-(trifluoromethyl)pyridin-2-yl]methylidene})amine (CAS 400081-12-1)
Recommended Standards
- 1-[3-(2,6-Dichlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]-5-(trifluoromethyl)-2,3-dihydro-1H-1,4-diazepine (CAS 439120-73-7)
- 6-(Tributylstannyl)isoquinoline (CAS 220514-06-7)
- 1-(Tributylstannyl)isoquinoline (CAS 884658-29-1)
- 8-(Tributylstannyl)quinoline (CAS 478282-21-2)
- (6,6-Dimethylbicyclo[3.1.1]heptan-2-yl)methanol (CAS 514-99-8)
- Methyl 2-phenoxybenzoate (CAS 21905-56-6)
- Cyclohexyl 2-((5-(4-hydroxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)acetate (CAS 332906-63-5)
- (3E)-1-Acetyl-3-[(4-methoxyphenyl)methylidene]piperazine-2,5-dione (CAS 74720-30-2)
- 2-Ethyl-1-(3-(methylamino)piperidin-1-yl)butan-1-one hydrochloride (CAS 1830028-60-8)
- 23407-76-3 CTK4F1415 Cyclopenta[c]pyran-4-carboxylicacid, 1-(b-D-glucopyranosyloxy)-1,4a,5,7a-tetrahydro-4a-hydroxy-7-(hydroxymethyl)-,methyl ester, (1S,4aR,7aR)- (CAS 23407-76-3)
- (5-Chloro-1H-benzo[d]imidazol-2-yl)methanamine hydrochloride (CAS 712275-25-7)
- Cabozantinib Impurity 27 (CAS 332-07-0)
- 2-(3-Methylisoxazol-5-yl)benzoic Acid (CAS 80238-83-1)
- Serpent Peptide (CAS 823202-99-9)
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