5,5-Difluoro-3-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d]isoxazole CAS 1823347-67-6

Purity 97%+In StockPharmaceutical Standards
CAS No.1823347-67-6
Molecular FormulaC7H9F2NO
Molecular Weight161.15 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

5,5-Difluoro-3-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d]isoxazole CAS 1823347-67-6 chemical structure

Description

The occurrence of 5,5-Difluoro-3-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d]isoxazole is closely related to an amide group, a hydroxyl group, an ether linkage, fluorine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.

5,5-Difluoro-3-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d]isoxazole (CAS 1823347-67-6), molecular formula C7H9F2NO and molecular weight 161.15 g/mol, is a CATO reference standard with documented purity and traceability.

Based on its molecular formula C7H9F2NO, 5,5-Difluoro-3-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d]isoxazole contains an amide group, a hydroxyl group, an ether linkage, fluorine substitution; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 161.15 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. 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.

As a certified reference material (CRM), 5,5-Difluoro-3-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d]isoxazole 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 FormulaC7H9F2NO
Molecular Weight161.15 g/mol
AppearanceWhite 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)3.0
UV AbsorptionUV-absorbing
CAS Registry Year (est.)1995
Halogen ContentF-containing
Nitrogen Atoms1

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