3-(Chloromethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[d]isoxazole CAS 1506281-27-1

Purity 97%+In StockPharmaceutical Standards
CAS No.1506281-27-1
Molecular FormulaC9H12ClNO
Molecular Weight185.65 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

3-(Chloromethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[d]isoxazole CAS 1506281-27-1 chemical structure

Description

Compared with other compounds in its class, the molecular weight of 185.65 g/mol gives 3-(Chloromethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[d]isoxazole distinctive chromatographic separation conditions and mass-spectrometry parameter settings.

CATO supplies 3-(Chloromethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[d]isoxazole (CAS 1506281-27-1), a certified reference material (molecular formula C9H12ClNO, MW 185.65 g/mol) for analytical method development and quality control.

Structurally, 3-(Chloromethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[d]isoxazole (C9H12ClNO) contains a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, chlorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 4.0, corresponding to approximately 4 ring(s) or double-bond equivalent(s). With a molecular weight of 185.65 g/mol, it falls into the medium-molecular-weight range. 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.

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 FormulaC9H12ClNO
Molecular Weight185.65 g/mol
AppearanceOff-white 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)4.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1992
Halogen ContentCl-containing
Nitrogen Atoms1

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