2-((4-Chlorophenyl)thio)-5-nitrobenzonitrile CAS 78940-73-5

Purity 97%+In StockPharmaceutical Standards
CAS No.78940-73-5
Molecular FormulaC13H7ClN2O2S
Molecular Weight290.72 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

2-((4-Chlorophenyl)thio)-5-nitrobenzonitrile CAS 78940-73-5 chemical structure

Description

The occurrence of 2-((4-Chlorophenyl)thio)-5-nitrobenzonitrile is closely related to a nitrogen-containing heterocyclic scaffold, an amide group, a sulfone group, a hydroxyl group, an ether linkage, chlorine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.

2-((4-Chlorophenyl)thio)-5-nitrobenzonitrile (CAS 78940-73-5), molecular formula C13H7ClN2O2S and molecular weight 290.72 g/mol, is a CATO reference standard with documented purity and traceability.

Based on its molecular formula C13H7ClN2O2S, 2-((4-Chlorophenyl)thio)-5-nitrobenzonitrile contains a nitrogen-containing heterocyclic scaffold, an amide group, a sulfone group, a hydroxyl group, an ether linkage, chlorine substitution; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 290.72 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.

CATO manufactures 2-((4-Chlorophenyl)thio)-5-nitrobenzonitrile under ISO 17034:2016 accreditation with dual CNAS and ANAB accreditation. Each batch is characterized by orthogonal methods and supplied with a full Certificate of Analysis (COA), ensuring metrological traceability.

Physical & Chemical Properties

Molecular FormulaC13H7ClN2O2S
Molecular Weight290.72 g/mol
Purity97%+
StorageStore at 2-8°C, protect from light, keep sealed and dry, 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; Hygroscopic; reseal immediately after opening; Contains ester bond; hydrolyzes under strong alkaline conditions
Degree of Unsaturation (DBE)11.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1979
Halogen ContentCl-containing
Nitrogen Atoms2
Sulfur Atoms1

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