Ethyl 2-bromo-4-cyano-5-fluorobenzoate CAS 1805590-72-0
| CAS No. | 1805590-72-0 |
| Molecular Formula | C10H7BrFNO2 |
| Molecular Weight | 272.07 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of Ethyl 2-bromo-4-cyano-5-fluorobenzoate is closely related to a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, fluorine/bromine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
CATO supplies Ethyl 2-bromo-4-cyano-5-fluorobenzoate (CAS 1805590-72-0), a certified reference material (molecular formula C10H7BrFNO2, MW 272.07 g/mol) for analytical method development and quality control.
Based on its molecular formula C10H7BrFNO2, Ethyl 2-bromo-4-cyano-5-fluorobenzoate contains a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, fluorine/bromine substitution; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 272.07 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. 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-fluorobenzoate 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 | C10H7BrFNO2 |
| Molecular Weight | 272.07 g/mol |
| Appearance | Off-white to pale yellow crystalline powder. (slight halide-like odor, faint amine-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.) | 1995 |
| Halogen Content | F/Br-containing |
| Nitrogen Atoms | 1 |
Related Ethyl Standards
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Recommended Standards
- Methyl 2-(3-bromo-2-cyano-5-fluorophenyl)acetate (CAS 1805584-05-7)
- Ethyl 2-bromo-6-cyano-4-fluorobenzoate (CAS 1805590-80-0)
- Ethyl 6-bromo-2-cyano-3-fluorobenzoate (CAS 1805583-27-0)
- Ethyl 2-bromo-3-cyano-6-fluorobenzoate (CAS 1806848-35-0)
- {6-[(2,2,2-trifluoroethoxy)methyl]pyridin-3-yl}methanamine (CAS 1513116-05-6)
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- 1-(3-Chloro-4-fluorobenzenesulfonyl)piperazine hydrochloride (CAS 1251923-60-0)
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