Ethyl 2-bromo-3-cyano-4-(trifluoromethyl)benzoate CAS 1805594-52-8

Purity 97%+In StockPharmaceutical Standards
CAS No.1805594-52-8
Molecular FormulaC11H7BrF3NO2
Molecular Weight322.08 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

Ethyl 2-bromo-3-cyano-4-(trifluoromethyl)benzoate CAS 1805594-52-8 chemical structure

Description

The occurrence of Ethyl 2-bromo-3-cyano-4-(trifluoromethyl)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.

Ethyl 2-bromo-3-cyano-4-(trifluoromethyl)benzoate (CAS 1805594-52-8) is a high-purity analytical reference standard with the molecular formula C11H7BrF3NO2 and a molecular weight of 322.08 g/mol.

Owing to a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, fluorine/bromine substitution, Ethyl 2-bromo-3-cyano-4-(trifluoromethyl)benzoate is typically off-white to pale yellow crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 322.08 g/mol — guide the selection of appropriate sample preparation and analytical techniques. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.

This reference standard is suitable for quantitative analysis on major chromatographic platforms including HPLC, GC, LC-MS/MS, and GC-MS, serving as an external calibration standard or a system suitability test reference material.

CATO manufactures Ethyl 2-bromo-3-cyano-4-(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 FormulaC11H7BrF3NO2
Molecular Weight322.08 g/mol
AppearanceOff-white to pale yellow crystalline powder. (slight halide-like odor, low volatility)
Purity97%+
StorageStore at 2-8°C, protect from light
Solubility (reference)Soluble in chloroform, dichloromethane, ethyl acetate, DMSO
StabilityMay 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 AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1995
Halogen ContentF/Br-containing
Nitrogen Atoms1

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