Methyl 2-(5-bromo-4-cyano-2-(trifluoromethyl)phenyl)acetate CAS 1805417-86-0

Purity 97%+In StockPharmaceutical Standards
CAS No.1805417-86-0
Molecular FormulaC11H7BrF3NO2
Molecular Weight322.08 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

Methyl 2-(5-bromo-4-cyano-2-(trifluoromethyl)phenyl)acetate CAS 1805417-86-0 chemical structure

Description

Compared with other compounds in its class, the molecular weight of 322.08 g/mol gives Methyl 2-(5-bromo-4-cyano-2-(trifluoromethyl)phenyl)acetate distinctive chromatographic separation conditions and mass-spectrometry parameter settings.

Methyl 2-(5-bromo-4-cyano-2-(trifluoromethyl)phenyl)acetate (CAS 1805417-86-0), molecular formula C11H7BrF3NO2 and molecular weight 322.08 g/mol, is a CATO reference standard with documented purity and traceability.

Methyl 2-(5-bromo-4-cyano-2-(trifluoromethyl)phenyl)acetate (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. 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 Methyl 2-(5-bromo-4-cyano-2-(trifluoromethyl)phenyl)acetate 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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