Methyl 4-bromo-3-(cyanomethyl)benzoate CAS 1379355-34-6

Purity 97%+In StockPharmaceutical Standards
CAS No.1379355-34-6
Molecular FormulaC10H8BrNO2
Molecular Weight254.08 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

Methyl 4-bromo-3-(cyanomethyl)benzoate CAS 1379355-34-6 chemical structure

Description

Compared with other compounds in its class, the molecular weight of 254.08 g/mol gives Methyl 4-bromo-3-(cyanomethyl)benzoate distinctive chromatographic separation conditions and mass-spectrometry parameter settings.

Methyl 4-bromo-3-(cyanomethyl)benzoate (CAS 1379355-34-6), molecular formula C10H8BrNO2 and molecular weight 254.08 g/mol, is a CATO reference standard with documented purity and traceability.

The molecular framework of Methyl 4-bromo-3-(cyanomethyl)benzoate (C10H8BrNO2) is characterized by a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, bromine substitution. In reversed-phase chromatography, its retention is governed primarily by its high hydrophobicity (logP), which provides a practical basis for HPLC-UV/DAD or LC-MS method development. The aromatic system may exhibit native fluorescence, enabling detection with a fluorescence detector (FLD).

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 FormulaC10H8BrNO2
Molecular Weight254.08 g/mol
AppearanceOff-white to pale yellow crystalline powder. (slight halide-like odor, faint amine-like odor)
Purity97%+
StorageStore at 2-8°C, protect from light, keep tightly closed to prevent evaporation
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.)1991
Halogen ContentBr-containing
Nitrogen Atoms1

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