3-[3,5-di(trifluoromethyl)phenyl]prop-2-ynyl 2-chloroacetate CAS 680579-65-1
| CAS No. | 680579-65-1 |
| Molecular Formula | C13H7ClF6O2 |
| Molecular Weight | 344.64 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
3-[3,5-di(trifluoromethyl)phenyl]prop-2-ynyl 2-chloroacetate (CAS 680579-65-1), molecular formula C13H7ClF6O2 and molecular weight 344.64 g/mol, is a CATO reference standard with documented purity and traceability.
The molecular framework of 3-[3,5-di(trifluoromethyl)phenyl]prop-2-ynyl 2-chloroacetate (C13H7ClF6O2) is characterized by a carboxylic acid group, a hydroxyl group, an ether linkage, fluorine/chlorine substitution, an aromatic ring system. In reversed-phase chromatography, its retention is governed primarily by its high hydrophobicity (logP), which provides a practical basis for HPLC-UV/DAD or LC-MS method development. 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.
CATO manufactures 3-[3,5-di(trifluoromethyl)phenyl]prop-2-ynyl 2-chloroacetate under ISO 17034:2016 accreditation with dual CNAS and ANAB accreditation. Each batch is characterized by orthogonal methods and supplied with a full Certificate of Analysis (COA), ensuring metrological traceability.
Physical & Chemical Properties
| Molecular Formula | C13H7ClF6O2 |
| Molecular Weight | 344.64 g/mol |
| Appearance | Off-white to pale yellow crystalline powder. (slight halide-like odor, low volatility) |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light |
| Solubility (reference) | Soluble in chloroform, dichloromethane, ethyl acetate, DMSO |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; Contains ester bond; hydrolyzes under strong alkaline conditions |
| Degree of Unsaturation (DBE) | 7.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1985 |
| Halogen Content | F/Cl-containing |
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Recommended Standards
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- (2R,3S,4R,5R)-2-(Hydroxymethyl)-5-((8-methoxypyrimido[5,4-d]pyrimidin-4-yl)amino)tetrahydrofuran-3,4-diol (CAS 118515-48-3)
- Donepezil Related Compound A HCl (CAS 120011-69-0)
- Ethyl (2Z)-2-chloro-2-[2-(4-phenoxyphenyl)hydrazin-1-ylidene]acetate (CAS 96722-55-3)
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- 2-(Ethyl(1-methylpiperidin-3-yl)amino)ethanol (CAS 1353964-99-4)
- 4-Chloro-2-(2-oxopropyl)-5-[(prop-2-en-1-yl)amino]-2,3-dihydropyridazin-3-one (CAS 477855-40-6)
- 2-((4-Methoxybenzyl)amino)pyridine-3-sulfonamide (CAS 1291842-36-8)
- Smac-N7 Peptide (CAS 401913-57-3)
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