Ethyl 5-bromo-2-cyano-3-(difluoromethyl)benzoate CAS 1805130-99-7
| CAS No. | 1805130-99-7 |
| Molecular Formula | C11H8BrF2NO2 |
| Molecular Weight | 304.09 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of Ethyl 5-bromo-2-cyano-3-(difluoromethyl)benzoate 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 5-bromo-2-cyano-3-(difluoromethyl)benzoate (CAS 1805130-99-7), a certified reference material (molecular formula C11H8BrF2NO2, MW 304.09 g/mol) for analytical method development and quality control.
Ethyl 5-bromo-2-cyano-3-(difluoromethyl)benzoate (C11H8BrF2NO2) 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 5-bromo-2-cyano-3-(difluoromethyl)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 | C11H8BrF2NO2 |
| Molecular Weight | 304.09 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 2-bromo-4-cyano-3-(difluoromethyl)benzoate (CAS 1804385-60-1)
- Ethyl 2-bromo-4-cyano-6-(difluoromethyl)benzoate (CAS 1805018-89-6)
- Ethyl 2-bromo-4-cyano-5-(difluoromethyl)benzoate (CAS 1805130-91-9)
- Ethyl 4-bromo-2-cyano-6-(difluoromethyl)benzoate (CAS 1805411-95-3)
- Ethyl 6-bromo-3-cyano-2-(difluoromethyl)benzoate (CAS 1805412-06-9)
- Ethyl 3-bromo-4-cyano-5-(difluoromethyl)benzoate (CAS 1805481-14-4)
- Methyl 2-(4-bromo-2-cyano-5-(difluoromethyl)phenyl)acetate (CAS 1805519-23-6)
- Ethyl 5-bromo-4-cyano-2-(difluoromethyl)benzoate (CAS 1805581-31-0)
Recommended Standards
- 4-(5-Bromofuran-2-carbonyl)morpholine-3-carboxylic acid (CAS 1497904-39-8)
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- 898767-49-2 4-(2-Iodophenyl)-4-oxobutanoic acid DTXSID20645391 (CAS 898767-49-2)
- Methyl 2-(5-bromo-3-cyano-2-(difluoromethyl)phenyl)acetate (CAS 1805581-74-1)
- 3-Cyclopentenecarboxamide (CAS 50494-42-3)
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- 2-Nitro-1-(trifluoromethoxy)-3-(trifluoromethyl)benzene (CAS 1417567-98-6)
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