Ethyl 4-ethoxy-3-(trifluoromethyl)benzoate CAS 864178-58-5
| CAS No. | 864178-58-5 |
| Molecular Formula | C12H13F3O3 |
| Molecular Weight | 262.23 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
As a certified reference material (CRM), Ethyl 4-ethoxy-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.
Ethyl 4-ethoxy-3-(trifluoromethyl)benzoate (CAS 864178-58-5), molecular formula C12H13F3O3 and molecular weight 262.23 g/mol, is a CATO reference standard with documented purity and traceability.
Structurally, Ethyl 4-ethoxy-3-(trifluoromethyl)benzoate (C12H13F3O3) contains a carboxylic acid group, a hydroxyl group, an ether linkage, fluorine substitution, an aromatic ring system. The molecule exhibits a degree of unsaturation (DBE) of 5.0, corresponding to approximately 5 ring(s) or double-bond equivalent(s). With a molecular weight of 262.23 g/mol, it falls into the medium-molecular-weight range. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
Physical & Chemical Properties
| Molecular Formula | C12H13F3O3 |
| Molecular Weight | 262.23 g/mol |
| Appearance | Off-white to pale yellow crystalline powder. (slight halide-like odor, low volatility) |
| Purity | 97%+ |
| Storage | Store in a cool place (≤25°C), keep sealed and dry, keep tightly closed to prevent evaporation |
| Solubility (reference) | Soluble in chloroform, dichloromethane, ethyl acetate, DMSO |
| Stability | May oxidize slowly on prolonged air exposure; Hygroscopic; reseal immediately after opening; Contains ester bond; hydrolyzes under strong alkaline conditions |
| Degree of Unsaturation (DBE) | 5.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1987 |
| Halogen Content | F-containing |
Related Ethyl Standards
- 3-(4-Ethoxy-3-(trifluoromethyl)phenyl)propanoic acid (CAS 1206593-34-1)
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- 2-Ethoxy-6-nitroquinoline-4-carboxylic acid (CAS 89267-24-3)
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- 5-(4-Ethoxy-3-methoxyphenyl)-1h-pyrazole-3-carboxylic acid (CAS 1038829-48-9)
- Ethyl 8-ethoxy-2-oxo-2H-chromene-3-carboxylate (CAS 117382-66-8)
- 3-Ethoxy-4-((1-methyl-1H-tetrazol-5-yl)methoxy)benzaldehyde (CAS 1373247-71-2)
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Recommended Standards
- Ethyl 3-(4-hydroxy-2-(trifluoromethyl)phenyl)propanoate (CAS 847348-52-1)
- Ethyl 5-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxylate (CAS 2060587-75-7)
- 6-Phenyl-2-(trifluoromethyl)-1H-benzo[d]imidazole (CAS 89426-92-6)
- Methyl 2-(2,5-dimethylphenyl)-3,3,3-trifluoro-2-hydroxypropanoate (CAS 695191-65-2)
- 2-Propenamide, N-(hydroxymethyl)-2-methyl-, polymer with 1,3-butadiene and 2-propenenitrile (CAS 25135-82-4)
- (Z)-((4-Methoxybuta-1,3-dien-2-yl)oxy)trimethylsilane (CAS 124306-13-4)
- 4-(Triazol-1-yl)benzonitrile (CAS 85862-71-1)
- 2-Cyclopropoxyaniline (CAS 1243361-81-0)
- 2-(Hydroxymethyl)thiazole-5-carboxylic acid (CAS 59855-88-8)
- 2-Propenenitrile, polymer with 1,3-butadiene and ethenylbenzene, ammonium salt (CAS 67952-85-6)
- tert-Butyl 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indazole-1-carboxylate (CAS 890839-29-9)
- Benzo[d]oxazole-2-sulfonyl chloride (CAS 1026975-53-0)
- (1S,2R)-1-(2-Phenyl-2H-1,2,3-triazol-4-yl)propane-1,2,3-triol (CAS 6631-53-4)
- D-Gln19-Tirzepatide (CAS CATO-CPTD788915)
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