3-[2-(4-Bromophenyl)-6,6-dimethyl-4-oxo-4,5,6,7-tetrahydro-1H-indol-1-yl]benzoic acid CAS 937604-64-3

Purity 97%+In StockPharmaceutical Standards
CAS No.937604-64-3
Molecular FormulaC23H20BrNO3
Molecular Weight438.31 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

3-[2-(4-Bromophenyl)-6,6-dimethyl-4-oxo-4,5,6,7-tetrahydro-1H-indol-1-yl]benzoic acid CAS 937604-64-3 chemical structure

Description

The occurrence of 3-[2-(4-Bromophenyl)-6,6-dimethyl-4-oxo-4,5,6,7-tetrahydro-1H-indol-1-yl]benzoic acid is closely related to a steroid core, an amide group, a hydroxyl group, an ether linkage, bromine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.

3-[2-(4-Bromophenyl)-6,6-dimethyl-4-oxo-4,5,6,7-tetrahydro-1H-indol-1-yl]benzoic acid (CAS 937604-64-3), molecular formula C23H20BrNO3 and molecular weight 438.31 g/mol, is a CATO reference standard with documented purity and traceability.

Structurally, 3-[2-(4-Bromophenyl)-6,6-dimethyl-4-oxo-4,5,6,7-tetrahydro-1H-indol-1-yl]benzoic acid (C23H20BrNO3) contains a steroid core, an amide group, a hydroxyl group, an ether linkage, bromine substitution. The molecule exhibits a degree of unsaturation (DBE) of 14.0, corresponding to approximately 14 ring(s) or double-bond equivalent(s). With a molecular weight of 438.31 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.

As a certified reference material (CRM), 3-[2-(4-Bromophenyl)-6,6-dimethyl-4-oxo-4,5,6,7-tetrahydro-1H-indol-1-yl]benzoic acid meets the metrological traceability requirements of ISO/IEC 17025 laboratories. Batch-to-batch consistency is monitored via control charts to guarantee comparable assigned values across lots.

Physical & Chemical Properties

Molecular FormulaC23H20BrNO3
Molecular Weight438.31 g/mol
AppearancePale yellow to yellow crystalline powder. (slight halide-like odor)
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)14.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1987
Halogen ContentBr-containing
Nitrogen Atoms1

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