rel-(1R,3S)-Ethyl 3-((Z)-2-chloro-2-(4-chlorophenyl)vinyl)-2,2-dimethylcyclopropanecarboxylate CAS 78479-01-3
| CAS No. | 78479-01-3 |
| Molecular Formula | C16H18Cl2O2 |
| Molecular Weight | 313.22 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
rel-(1R,3S)-Ethyl 3-((Z)-2-chloro-2-(4-chlorophenyl)vinyl)-2,2-dimethylcyclopropanecarboxylate (CAS 78479-01-3) is a high-purity analytical reference standard with the molecular formula C16H18Cl2O2 and a molecular weight of 313.22 g/mol.
Based on its molecular formula C16H18Cl2O2, rel-(1R,3S)-Ethyl 3-((Z)-2-chloro-2-(4-chlorophenyl)vinyl)-2,2-dimethylcyclopropanecarboxylate contains a carboxylic acid group, a hydroxyl group, an ether linkage, chlorine substitution, a polycyclic aromatic system; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 313.22 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. The high carbon-to-hydrogen ratio imparts good lipophilicity, allowing liquid-liquid extraction with non-polar solvents such as n-hexane or ethyl acetate.
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
The assigned purity is verified by mass-balance and quantitative NMR (qNMR) approaches, with the expanded uncertainty reported at a 95% confidence level (k=2). Batch homogeneity and stability are independently assessed for every lot.
Physical & Chemical Properties
| Molecular Formula | C16H18Cl2O2 |
| Molecular Weight | 313.22 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.) | 1979 |
| Halogen Content | Cl-containing |
Recommended Standards
- 4-Nitro-2-(4-nitrophenyl)isoindoline-1,3-dione (CAS 53555-13-8)
- Bifonazole Impurity 15 (CAS CATO-C4X-156015)
- 3-Hydroxy-2,3-dimethylbutan-2-yl hydrogen (5-morpholinothiophen-2-yl)boronate (CAS 2223033-16-5)
- Clotrimazole Impurity 20 (CAS 27023-37-6)
- 2-((4-Fluorophenyl)thio)-N-(2-methoxy-5-methylphenyl)acetamide (CAS 764705-07-9)
- 2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-2-(3,3-difluorocyclopentyl)acetic acid (CAS 2138774-35-1)
- 2-(Hydroxy(3-nitrophenyl)methyl)cyclohex-2-en-1-one (CAS 503457-62-3)
- 2-(1-Benzylpiperidin-4-yl)-2-phenylpentanedinitrile (CAS 83898-32-2)
- methyl 2,2-difluoro-2-(4-piperidyl)acetate (CAS 1783742-79-9)
- Methyl 6-bromoindolizine-2-carboxylate (CAS 1162262-40-9)
- Methyl 4-(4,5-dimethyl-1h-imidazol-1-yl)-2-(methylamino)butanoate (CAS 1343635-58-4)
- 3-Bromo-6-ethylpyridin-2-amine (CAS 1823947-04-1)
- 2-(2,3-Dichlorophenoxy)-2-phenylacetic acid (CAS 938116-95-1)
- Semaglutide impurity 273 (CAS CATO-C4X-2226273)
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