1-(4-Fluorophenyl)-5-nitro-1h-benzo[d]imidazole-2-thiol CAS 731003-61-5

Purity 97%+In StockPharmaceutical Standards
CAS No.731003-61-5
Molecular FormulaC13H8FN3O2S
Molecular Weight289.28 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

1-(4-Fluorophenyl)-5-nitro-1h-benzo[d]imidazole-2-thiol CAS 731003-61-5 chemical structure

Description

Under current pharmacopoeial and regulatory frameworks, quality-control requirements for this class of reference material explicitly involve the control of targets including 1-(4-Fluorophenyl)-5-nitro-1h-benzo[d]imidazole-2-thiol.

1-(4-Fluorophenyl)-5-nitro-1h-benzo[d]imidazole-2-thiol (CAS 731003-61-5), molecular formula C13H8FN3O2S and molecular weight 289.28 g/mol, is a CATO reference standard with documented purity and traceability.

The molecular framework of 1-(4-Fluorophenyl)-5-nitro-1h-benzo[d]imidazole-2-thiol (C13H8FN3O2S) is characterized by a nitrogen-containing heterocyclic scaffold, an amide group, a sulfone group, a hydroxyl group, an ether linkage, fluorine substitution. In reversed-phase chromatography, its retention is governed primarily by the protonation state of its nitrogen-containing groups, which provides a practical basis for HPLC-UV/DAD or LC-MS method development. 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), 1-(4-Fluorophenyl)-5-nitro-1h-benzo[d]imidazole-2-thiol 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 FormulaC13H8FN3O2S
Molecular Weight289.28 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.)1986
Halogen ContentF-containing
Nitrogen Atoms3
Sulfur Atoms1

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