5-(3-Chloropropyl)-3-methylisoxazole CAS 130800-76-9

Purity 97%+In StockPharmaceutical Standards
CAS No.130800-76-9
Molecular FormulaC7H10ClNO
Molecular Weight159.61 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

5-(3-Chloropropyl)-3-methylisoxazole CAS 130800-76-9 chemical structure

Description

Compared with other compounds in its class, the molecular weight of 159.61 g/mol gives 5-(3-Chloropropyl)-3-methylisoxazole distinctive chromatographic separation conditions and mass-spectrometry parameter settings.

5-(3-Chloropropyl)-3-methylisoxazole (CAS 130800-76-9), molecular formula C7H10ClNO and molecular weight 159.61 g/mol, is a CATO reference standard with documented purity and traceability.

Structurally, 5-(3-Chloropropyl)-3-methylisoxazole (C7H10ClNO) contains an amide group, a hydroxyl group, an ether linkage, chlorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 3.0, corresponding to approximately 3 ring(s) or double-bond equivalent(s). With a molecular weight of 159.61 g/mol, it falls into the medium-molecular-weight range. 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.

As a certified reference material (CRM), 5-(3-Chloropropyl)-3-methylisoxazole 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 FormulaC7H10ClNO
Molecular Weight159.61 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.)1994
Halogen ContentCl-containing
Nitrogen Atoms1

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