Ethyl 4-oxo-3-(trifluoromethyl)-4,5,6,7-tetrahydrobenzofuran-2-carboxylate CAS 2111105-68-9
| CAS No. | 2111105-68-9 |
| Molecular Formula | C12H11F3O4 |
| Molecular Weight | 276.21 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Under current pharmacopoeial and regulatory frameworks, quality-control requirements for this class of reference material explicitly involve the control of targets including Ethyl 4-oxo-3-(trifluoromethyl)-4,5,6,7-tetrahydrobenzofuran-2-carboxylate.
Ethyl 4-oxo-3-(trifluoromethyl)-4,5,6,7-tetrahydrobenzofuran-2-carboxylate (CAS 2111105-68-9) is a high-purity analytical reference standard with the molecular formula C12H11F3O4 and a molecular weight of 276.21 g/mol.
Structurally, Ethyl 4-oxo-3-(trifluoromethyl)-4,5,6,7-tetrahydrobenzofuran-2-carboxylate (C12H11F3O4) 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 6.0, corresponding to approximately 6 ring(s) or double-bond equivalent(s). With a molecular weight of 276.21 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.
CATO manufactures Ethyl 4-oxo-3-(trifluoromethyl)-4,5,6,7-tetrahydrobenzofuran-2-carboxylate 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 | C12H11F3O4 |
| Molecular Weight | 276.21 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 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; Light-sensitive; avoid direct strong light; Hygroscopic; reseal immediately after opening; Contains ester bond; hydrolyzes under strong alkaline conditions |
| Degree of Unsaturation (DBE) | 6.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1997 |
| Halogen Content | F-containing |
Recommended Standards
- Ethyl 3-Oxo-3-[4-(trifluoromethoxy)phenyl]propionate (CAS 252955-06-9)
- Methyl (R)-2-(5-(trifluoromethoxy)-2,3-dihydrobenzofuran-3-yl)acetate (CAS 2831919-27-6)
- Ethyl 3-Oxo-3-[3-(trifluoromethoxy)phenyl]propanoate (CAS 642451-74-9)
- Methyl 5-(Trifluoromethoxy)-2,3-dihydrobenzofuran-3-acetate (CAS 2070896-34-1)
- 6-Bromopyrazolo[1,5-a]pyrimidine-3-carboxamide (CAS 1243249-99-1)
- 1,3-Dimethyl-1H-pyrrole (CAS 10524-65-9)
- N-(2,2-dichloro-1-cyanovinyl)acetamide (CAS 23530-18-9)
- 7-Chloro-2-isopropyl-2H-pyrazolo[4,3-d]pyrimidine (CAS 923283-07-2)
- 1-(3-{[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]oxy}phenyl)-3-(dimethylamino)-2-propen-1-one (CAS 339023-71-1)
- 4-(5-((4-Fluorophenyl)carbamoyl)-1,3,4-thiadiazol-2-yl)benzoic acid (CAS 1142210-46-5)
- n-((1h-Pyrazol-3-yl)methyl)-2-oxo-1,2-dihydropyridine-3-carboxamide (CAS 1292691-89-4)
- Minoxidil Impurity 50 (CAS CATO-C4X-170050)
- 3-Methylpyrazole-4-carbaldehyde (CAS 112758-40-4)
- Semaglutide impurity 195 (CAS CATO-C4X-2226195)
Why CATO?
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