2-CHLORO-1-FLUORO-4-ISOCYANATO-BENZEN 2-CHLORO-1-FLUORO-4-ISOCYANATOBENZENE 3-Chloro-4-fluorophenyl isocyanate 50529-33-4 AS04360 OTAVA-BB 1055583 CAS 50529-33-4

Purity 97%+In StockPharmaceutical Standards
CAS No.50529-33-4
Molecular FormulaC7H3ClFNO
Molecular Weight171.56 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

2-CHLORO-1-FLUORO-4-ISOCYANATO-BENZEN 2-CHLORO-1-FLUORO-4-ISOCYANATOBENZENE 3-Chloro-4-fluorophenyl isocyanate 50529-33-4 AS04360 OTAVA-BB 1055583 CAS 50529-33-4 chemical structure

Description

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 supplies 2-CHLORO-1-FLUORO-4-ISOCYANATO-BENZEN 2-CHLORO-1-FLUORO-4-ISOCYANATOBENZENE 3-Chloro-4-fluorophenyl isocyanate 50529-33-4 AS04360 OTAVA-BB 1055583 (CAS 50529-33-4), a certified reference material (molecular formula C7H3ClFNO, MW 171.56 g/mol) for analytical method development and quality control.

Owing to an amide group, a hydroxyl group, an ether linkage, fluorine/chlorine substitution, an aromatic ring system, 2-CHLORO-1-FLUORO-4-ISOCYANATO-BENZEN 2-CHLORO-1-FLUORO-4-ISOCYANATOBENZENE 3-Chloro-4-fluorophenyl isocyanate 50529-33-4 AS04360 OTAVA-BB 1055583 is typically off-white to pale yellow crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 171.56 g/mol — guide the selection of appropriate sample preparation and analytical techniques. 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).

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 FormulaC7H3ClFNO
Molecular Weight171.56 g/mol
AppearanceOff-white to pale yellow crystalline powder. (slight halide-like odor, faint amine-like odor, low volatility)
Purity97%+
StorageStore at 2-8°C, protect from light, keep tightly closed to prevent evaporation
Solubility (reference)Soluble in methanol, acetonitrile, DMSO, water (slightly soluble)
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.)1971
Halogen ContentF/Cl-containing
Nitrogen Atoms1

Related CHLORO Standards

Recommended Standards

Why CATO?