Ethyl 2-bromo-4-cyano-5-(trifluoromethyl)benzoate CAS 1805417-72-4
| CAS No. | 1805417-72-4 |
| Molecular Formula | C11H7BrF3NO2 |
| Molecular Weight | 322.08 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Ethyl 2-bromo-4-cyano-5-(trifluoromethyl)benzoate (CAS 1805417-72-4), molecular formula C11H7BrF3NO2 and molecular weight 322.08 g/mol, is a CATO reference standard with documented purity and traceability.
Ethyl 2-bromo-4-cyano-5-(trifluoromethyl)benzoate (C11H7BrF3NO2) contains a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, fluorine/bromine substitution. Halogen substitution raises its density and boiling point, its high carbon-to-hydrogen ratio confers good lipid solubility, the carboxyl group imparts weak acidity; these physicochemical properties determine the optimal preparation and storage of its standard solutions. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.
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 2-bromo-4-cyano-5-(trifluoromethyl)benzoate 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 | C11H7BrF3NO2 |
| Molecular Weight | 322.08 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.) | 1995 |
| Halogen Content | F/Br-containing |
| Nitrogen Atoms | 1 |
Related Ethyl Standards
- Ethyl 3-bromo-2-cyano-6-(trifluoromethyl)benzoate (CAS 1805023-21-5)
- Methyl 2-(4-bromo-2-cyano-6-(trifluoromethyl)phenyl)acetate (CAS 1805023-30-6)
- Ethyl 2-bromo-6-cyano-4-(trifluoromethyl)benzoate (CAS 1805186-77-9)
- Methyl 2-(4-bromo-2-cyano-5-(trifluoromethyl)phenyl)acetate (CAS 1805188-60-6)
- Ethyl 4-bromo-2-cyano-5-(trifluoromethyl)benzoate (CAS 1805250-49-0)
- Methyl 2-(5-bromo-4-cyano-2-(trifluoromethyl)phenyl)acetate (CAS 1805417-86-0)
- Ethyl 4-bromo-3-cyano-2-(trifluoromethyl)benzoate (CAS 1805500-37-1)
- Methyl 2-(3-bromo-2-cyano-6-(trifluoromethyl)phenyl)acetate (CAS 1805500-61-1)
Recommended Standards
- Methyl 2-(2-bromo-4-cyano-5-(trifluoromethyl)phenyl)acetate (CAS 1805523-78-7)
- Methyl 2-(3-bromo-6-cyano-2-(trifluoromethyl)phenyl)acetate (CAS 1805578-38-4)
- 5-(5-Iodothiophen-3-yl)-1,2,4-oxadiazole-3-carboxylic acid (CAS 1508347-42-9)
- Methyl 2-(4-bromo-2-cyano-3-(trifluoromethyl)phenyl)acetate (CAS 1805578-41-9)
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