ethyl 2-cyano-2-(3,5-difluorophenyl)acetate CAS 202000-91-7
| CAS No. | 202000-91-7 |
| Molecular Formula | C11H9F2NO2 |
| Molecular Weight | 225.19 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Compared with other compounds in its class, the molecular weight of 225.19 g/mol gives ethyl 2-cyano-2-(3,5-difluorophenyl)acetate distinctive chromatographic separation conditions and mass-spectrometry parameter settings.
ethyl 2-cyano-2-(3,5-difluorophenyl)acetate (CAS 202000-91-7), molecular formula C11H9F2NO2 and molecular weight 225.19 g/mol, is a CATO reference standard with documented purity and traceability.
Structurally, ethyl 2-cyano-2-(3,5-difluorophenyl)acetate (C11H9F2NO2) contains a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, fluorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 7.0, corresponding to approximately 7 ring(s) or double-bond equivalent(s). With a molecular weight of 225.19 g/mol, it falls into the medium-molecular-weight range. The aromatic system may exhibit native fluorescence, enabling detection with a fluorescence detector (FLD).
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), ethyl 2-cyano-2-(3,5-difluorophenyl)acetate 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 | C11H9F2NO2 |
| Molecular Weight | 225.19 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, keep tightly closed to prevent evaporation |
| 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.) | 2014 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 1 |
Related ethyl Standards
- 4-cyano-5-(trifluoromethyl)thiophene-2-carboxylic acid (CAS 1141015-48-6)
- 2-(2-Cyano-4-(difluoromethyl)-5-methylphenyl)acetic acid (CAS 1804848-92-7)
- 2-Cyano-4-(difluoromethyl)-6-ethylbenzoic acid (CAS 1804933-84-3)
- 2-Cyano-3-(difluoromethyl)-5-ethylbenzoic acid (CAS 1805639-28-4)
- 4-Cyano-2-(difluoromethyl)-5-ethylbenzoic acid (CAS 1805657-33-3)
- 2-(4-Cyano-2-(difluoromethyl)-6-methylphenyl)acetic acid (CAS 1805667-32-6)
- 2-Cyano-5-(difluoromethyl)-3-ethylbenzoic acid (CAS 1807170-12-2)
- 4-Cyano-3-difluoromethyl-5-ethylbenzoic acid (CAS 1807170-32-6)
Recommended Standards
- Ethyl 2-cyano-2-(2,6-difluorophenyl)acetate (CAS 202000-98-4)
- Ethyl 4-(Trifluoromethyl)thiazole-2-carboxylate (CAS 79247-86-2)
- Ethyl 2-(4-Cyanophenyl)-2,2-difluoroacetate (CAS 854778-10-2)
- Ethyl 4,6-difluoro-1H-indole-2-carboxylate (CAS 870536-93-9)
- 2-Hydroxy-7,8-dimethylquinoline-3-carboxylic acid (CAS 436087-32-0)
- rac Clopidogrel-d8 Hydrogen Sulfate (Major) (CAS 1346598-07-9)
- 4,4-Difluorobutan-1-ol (CAS 272440-79-6)
- 5-(4-Fluorophenoxy)pentan-1-amine (CAS 1226156-81-5)
- 1-(2-Hydroxyethyl)-3-methylcyclohexane-1-carboxylic acid (CAS 1515666-24-6)
- Cefmetazole sodium Impurity 20 (CAS 70953-18-3)
- 3,6-Dihydroxyphthalic anhydride (CAS 69039-62-9)
- 1-(tert-Butyl)-3-ethyl-1h-pyrazole-5-carboxylic acid (CAS 1020724-10-0)
- (R)-3-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-4-(2,4-difluorophenyl)butanoic acid (CAS 1956436-07-9)
- D-Ile27-Tirzepatide (CAS CATO-CPTD788907)
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