6-Fluoro-3-methylbenzo[d]isothiazole CAS 150555-93-4

Purity 97%+In StockPharmaceutical Standards
CAS No.150555-93-4
Molecular FormulaC8H6FNS
Molecular Weight167.20 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

6-Fluoro-3-methylbenzo[d]isothiazole CAS 150555-93-4 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 6-Fluoro-3-methylbenzo[d]isothiazole.

6-Fluoro-3-methylbenzo[d]isothiazole (CAS 150555-93-4) is a high-purity analytical reference standard with the molecular formula C8H6FNS and a molecular weight of 167.20 g/mol.

The molecular framework of 6-Fluoro-3-methylbenzo[d]isothiazole (C8H6FNS) is characterized by a nitrogen-containing heterocyclic scaffold, a nitrile group, sulfur-containing functionality, 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. 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 FormulaC8H6FNS
Molecular Weight167.20 g/mol
Purity97%+
StorageStore at 2-8°C, protect from light, keep tightly closed to prevent evaporation
Solubility (reference)Soluble in methanol, acetonitrile, DMSO
StabilityMay oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light
Degree of Unsaturation (DBE)6.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)2000
Halogen ContentF-containing
Nitrogen Atoms1
Sulfur Atoms1

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