Ethyl 5,6-dichloro-1H-indole-2-carboxylate CAS 53995-78-1

Purity 97%+In StockPharmaceutical Standards
CAS No.53995-78-1
Molecular FormulaC11H9Cl2NO2
Molecular Weight258.10 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

Ethyl 5,6-dichloro-1H-indole-2-carboxylate CAS 53995-78-1 chemical structure

Description

Compared with other compounds in its class, the molecular weight of 258.10 g/mol gives Ethyl 5,6-dichloro-1H-indole-2-carboxylate distinctive chromatographic separation conditions and mass-spectrometry parameter settings.

Ethyl 5,6-dichloro-1H-indole-2-carboxylate (CAS 53995-78-1), molecular formula C11H9Cl2NO2 and molecular weight 258.10 g/mol, is a CATO reference standard with documented purity and traceability.

Structurally, Ethyl 5,6-dichloro-1H-indole-2-carboxylate (C11H9Cl2NO2) contains a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, chlorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 7.0, corresponding to approximately 7 ring(s) or double-bond equivalent(s). With a molecular weight of 258.10 g/mol, it falls into the medium-molecular-weight range. The presence of an aromatic ring or conjugated system gives the compound characteristic absorption bands in the UV-Vis region, making it well suited to UV or diode-array detection (DAD).

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 FormulaC11H9Cl2NO2
Molecular Weight258.10 g/mol
AppearanceOff-white to pale yellow crystalline powder. (slight halide-like odor, low volatility)
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.)1972
Halogen ContentCl-containing
Nitrogen Atoms1

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