5-Chloro-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile CAS 954112-81-3

Purity 97%+In StockPharmaceutical Standards
CAS No.954112-81-3
Molecular FormulaC8H4ClN3
Molecular Weight177.59 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

5-Chloro-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile CAS 954112-81-3 chemical structure

Description

Compared with other compounds in its class, the molecular weight of 177.59 g/mol gives 5-Chloro-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile distinctive chromatographic separation conditions and mass-spectrometry parameter settings.

5-Chloro-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile (CAS 954112-81-3), molecular formula C8H4ClN3 and molecular weight 177.59 g/mol, is a CATO reference standard with documented purity and traceability.

Based on its molecular formula C8H4ClN3, 5-Chloro-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile contains a nitrogen-containing heterocyclic scaffold, a nitrile group, chlorine substitution; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 177.59 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. 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 FormulaC8H4ClN3
Molecular Weight177.59 g/mol
AppearancePale yellow to 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 DMSO, DMF, methanol
StabilityMay oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light
Degree of Unsaturation (DBE)8.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1987
Halogen ContentCl-containing
Nitrogen Atoms3

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