5-Methyl-5-nitrohexan-2-one CAS 4604-49-3

Purity 97%+In StockPharmaceutical Standards
CAS No.4604-49-3
Molecular FormulaC7H13NO3
Molecular Weight159.18 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

5-Methyl-5-nitrohexan-2-one CAS 4604-49-3 chemical structure

Description

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.

5-Methyl-5-nitrohexan-2-one (CAS 4604-49-3) is a high-purity analytical reference standard with the molecular formula C7H13NO3 and a molecular weight of 159.18 g/mol.

Structurally, 5-Methyl-5-nitrohexan-2-one (C7H13NO3) contains an amino-acid-derived structure, an amide group, a hydroxyl group, an ether linkage. The molecule exhibits a degree of unsaturation (DBE) of 2.0, corresponding to approximately 2 ring(s) or double-bond equivalent(s). With a molecular weight of 159.18 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.

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 FormulaC7H13NO3
Molecular Weight159.18 g/mol
Purity97%+
StorageStore at 2-8°C, protect from light, keep sealed and dry
Solubility (reference)Soluble in methanol, ethanol, DMSO, water
StabilityLight-sensitive; avoid direct strong light; Hygroscopic; reseal immediately after opening
Degree of Unsaturation (DBE)2.0
CAS Registry Year (est.)1958
Nitrogen Atoms1

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