4-Chloro-1-oxo-2,3-dihydro-1H-indene-5-carbonitrile CAS 903558-39-4

Purity 97%+In StockPharmaceutical Standards
CAS No.903558-39-4
Molecular FormulaC10H6ClNO
Molecular Weight191.61 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

4-Chloro-1-oxo-2,3-dihydro-1H-indene-5-carbonitrile CAS 903558-39-4 chemical structure

Description

Compared with other compounds in its class, the molecular weight of 191.61 g/mol gives 4-Chloro-1-oxo-2,3-dihydro-1H-indene-5-carbonitrile distinctive chromatographic separation conditions and mass-spectrometry parameter settings.

4-Chloro-1-oxo-2,3-dihydro-1H-indene-5-carbonitrile (CAS 903558-39-4), molecular formula C10H6ClNO and molecular weight 191.61 g/mol, is a CATO reference standard with documented purity and traceability.

Based on its molecular formula C10H6ClNO, 4-Chloro-1-oxo-2,3-dihydro-1H-indene-5-carbonitrile contains a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, chlorine substitution; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 191.61 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. 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 FormulaC10H6ClNO
Molecular Weight191.61 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 chloroform, dichloromethane, ethyl acetate, DMSO
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 Atoms1

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