Ethyl 2,2-bis[(2-chloro-6-fluorophenyl)methyl]-3-oxobutanoate CAS 400082-53-3

Purity 97%+In StockPharmaceutical Standards
CAS No.400082-53-3
Molecular FormulaC20H18Cl2F2O3
Molecular Weight415.26 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

Ethyl 2,2-bis[(2-chloro-6-fluorophenyl)methyl]-3-oxobutanoate CAS 400082-53-3 chemical structure

Description

The occurrence of Ethyl 2,2-bis[(2-chloro-6-fluorophenyl)methyl]-3-oxobutanoate is closely related to a steroid core, a hydroxyl group, an ether linkage, fluorine/chlorine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.

Ethyl 2,2-bis[(2-chloro-6-fluorophenyl)methyl]-3-oxobutanoate (CAS 400082-53-3), molecular formula C20H18Cl2F2O3 and molecular weight 415.26 g/mol, is a CATO reference standard with documented purity and traceability.

Structurally, Ethyl 2,2-bis[(2-chloro-6-fluorophenyl)methyl]-3-oxobutanoate (C20H18Cl2F2O3) contains a steroid core, a hydroxyl group, an ether linkage, fluorine/chlorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 10.0, corresponding to approximately 10 ring(s) or double-bond equivalent(s). With a molecular weight of 415.26 g/mol, it falls into the moderately-high-molecular-weight range. The high carbon-to-hydrogen ratio imparts good lipophilicity, allowing liquid-liquid extraction with non-polar solvents such as n-hexane or ethyl acetate.

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 2,2-bis[(2-chloro-6-fluorophenyl)methyl]-3-oxobutanoate 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 FormulaC20H18Cl2F2O3
Molecular Weight415.26 g/mol
AppearancePale yellow to yellow crystalline powder. (slight halide-like odor, low volatility)
Purity97%+
StorageStore at room temperature, protect from light, keep sealed and dry
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)10.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)2025
Halogen ContentF/Cl-containing

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