5-Chloro-3-(4-(dimethylamino)phenyl)-1H-indole-2-carbonitrile CAS 62039-81-0

Purity 97%+In StockPharmaceutical Standards
CAS No.62039-81-0
Molecular FormulaC17H14ClN3
Molecular Weight295.77 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

5-Chloro-3-(4-(dimethylamino)phenyl)-1H-indole-2-carbonitrile CAS 62039-81-0 chemical structure

Description

Compared with other compounds in its class, the molecular weight of 295.77 g/mol gives 5-Chloro-3-(4-(dimethylamino)phenyl)-1H-indole-2-carbonitrile distinctive chromatographic separation conditions and mass-spectrometry parameter settings.

5-Chloro-3-(4-(dimethylamino)phenyl)-1H-indole-2-carbonitrile (CAS 62039-81-0), molecular formula C17H14ClN3 and molecular weight 295.77 g/mol, is a CATO reference standard with documented purity and traceability.

Owing to a nitrogen-containing heterocyclic scaffold, a nitrile group, chlorine substitution, 5-Chloro-3-(4-(dimethylamino)phenyl)-1H-indole-2-carbonitrile is typically pale yellow to yellow crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 295.77 g/mol — guide the selection of appropriate sample preparation and analytical techniques. 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 FormulaC17H14ClN3
Molecular Weight295.77 g/mol
AppearancePale yellow to yellow crystalline powder. (slight halide-like odor)
Purity97%+
StorageStore at 2-8°C, protect from light, keep tightly closed to prevent evaporation
Solubility (reference)Soluble in DMSO, DMF, methanol
StabilityMay oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light
Degree of Unsaturation (DBE)12.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1974
Halogen ContentCl-containing
Nitrogen Atoms3

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