1-(Hex-1-yn-1-yl)-3-nitrobenzene CAS 448959-84-0

Purity 97%+In StockPharmaceutical Standards
CAS No.448959-84-0
Molecular FormulaC12H13NO2
Molecular Weight203.24 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

1-(Hex-1-yn-1-yl)-3-nitrobenzene CAS 448959-84-0 chemical structure

Description

The occurrence of 1-(Hex-1-yn-1-yl)-3-nitrobenzene is closely related to an amino-acid-derived structure, an amide group, a hydroxyl group, an ether linkage in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.

1-(Hex-1-yn-1-yl)-3-nitrobenzene (CAS 448959-84-0) is a high-purity analytical reference standard with the molecular formula C12H13NO2 and a molecular weight of 203.24 g/mol.

The molecular framework of 1-(Hex-1-yn-1-yl)-3-nitrobenzene (C12H13NO2) is characterized by an amino-acid-derived structure, an amide group, a hydroxyl group, an ether linkage. In reversed-phase chromatography, its retention is governed primarily by its high hydrophobicity (logP), 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.

As a certified reference material (CRM), 1-(Hex-1-yn-1-yl)-3-nitrobenzene 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 FormulaC12H13NO2
Molecular Weight203.24 g/mol
AppearanceOff-white to pale yellow crystalline powder
Purity97%+
StorageStore at 2-8°C, protect from light
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)7.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)2025
Nitrogen Atoms1

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