3-tert-Butyl-5-(chloromethyl)isoxazole CAS 69602-60-4

Purity 97%+In StockPharmaceutical Standards
CAS No.69602-60-4
Molecular FormulaC8H12ClNO
Molecular Weight173.64 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

3-tert-Butyl-5-(chloromethyl)isoxazole CAS 69602-60-4 chemical structure

Description

Compared with other compounds in its class, the molecular weight of 173.64 g/mol gives 3-tert-Butyl-5-(chloromethyl)isoxazole distinctive chromatographic separation conditions and mass-spectrometry parameter settings.

3-tert-Butyl-5-(chloromethyl)isoxazole (CAS 69602-60-4) is a high-purity analytical reference standard with the molecular formula C8H12ClNO and a molecular weight of 173.64 g/mol.

The molecular framework of 3-tert-Butyl-5-(chloromethyl)isoxazole (C8H12ClNO) is characterized by an amide group, a hydroxyl group, an ether linkage, chlorine 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. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.

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 FormulaC8H12ClNO
Molecular Weight173.64 g/mol
AppearanceWhite to pale yellow crystalline powder. (slight halide-like odor, faint amine-like odor)
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)3.0
UV AbsorptionUV-absorbing
CAS Registry Year (est.)1976
Halogen ContentCl-containing
Nitrogen Atoms1

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