Methyl 5-bromo-4-chloro-8-methylquinoline-2-carboxylate CAS 1133115-60-2

Purity 97%+In StockPharmaceutical Standards
CAS No.1133115-60-2
Molecular FormulaC12H9BrClNO2
Molecular Weight314.56 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

Methyl 5-bromo-4-chloro-8-methylquinoline-2-carboxylate CAS 1133115-60-2 chemical structure

Description

Under current pharmacopoeial and regulatory frameworks, quality-control requirements for this class of reference material explicitly involve the control of targets including Methyl 5-bromo-4-chloro-8-methylquinoline-2-carboxylate.

Methyl 5-bromo-4-chloro-8-methylquinoline-2-carboxylate (CAS 1133115-60-2) is a high-purity analytical reference standard with the molecular formula C12H9BrClNO2 and a molecular weight of 314.56 g/mol.

Structurally, Methyl 5-bromo-4-chloro-8-methylquinoline-2-carboxylate (C12H9BrClNO2) contains a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, chlorine/bromine substitution. The molecule exhibits a degree of unsaturation (DBE) of 8.0, corresponding to approximately 8 ring(s) or double-bond equivalent(s). With a molecular weight of 314.56 g/mol, it falls into the moderately-high-molecular-weight range. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.

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 FormulaC12H9BrClNO2
Molecular Weight314.56 g/mol
AppearancePale yellow to 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)8.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1989
Halogen ContentCl/Br-containing
Nitrogen Atoms1

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