Isopropyl 4-bromobenzoate CAS 59247-48-2

Purity 97%+In StockPharmaceutical Standards
CAS No.59247-48-2
Molecular FormulaC10H11BrO2
Molecular Weight243.10 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

Isopropyl 4-bromobenzoate CAS 59247-48-2 chemical structure

Description

Compared with other compounds in its class, the molecular weight of 243.10 g/mol gives Isopropyl 4-bromobenzoate distinctive chromatographic separation conditions and mass-spectrometry parameter settings.

Isopropyl 4-bromobenzoate (CAS 59247-48-2), molecular formula C10H11BrO2 and molecular weight 243.10 g/mol, is a CATO reference standard with documented purity and traceability.

Structurally, Isopropyl 4-bromobenzoate (C10H11BrO2) contains a carboxylic acid group, a hydroxyl group, an ether linkage, bromine substitution, an aromatic ring system. The molecule exhibits a degree of unsaturation (DBE) of 5.0, corresponding to approximately 5 ring(s) or double-bond equivalent(s). With a molecular weight of 243.10 g/mol, it falls into the medium-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.

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.

The assigned purity is verified by mass-balance and quantitative NMR (qNMR) approaches, with the expanded uncertainty reported at a 95% confidence level (k=2). Batch homogeneity and stability are independently assessed for every lot.

Physical & Chemical Properties

Molecular FormulaC10H11BrO2
Molecular Weight243.10 g/mol
AppearanceOff-white to pale yellow crystalline powder. (slight halide-like odor)
Purity97%+
StorageStore at room temperature, keep tightly closed to prevent evaporation
Solubility (reference)Soluble in chloroform, dichloromethane, ethyl acetate, DMSO
StabilityMay oxidize slowly on prolonged air exposure; Contains ester bond; hydrolyzes under strong alkaline conditions
Degree of Unsaturation (DBE)5.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1973
Halogen ContentBr-containing

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Why CATO?