1-(3,4-Dichlorophenyl)hexan-1-one CAS 68329-74-8

Purity 97%+In StockPharmaceutical Standards
CAS No.68329-74-8
Molecular FormulaC12H14Cl2O
Molecular Weight245.14 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

1-(3,4-Dichlorophenyl)hexan-1-one CAS 68329-74-8 chemical structure

Description

The occurrence of 1-(3,4-Dichlorophenyl)hexan-1-one is closely related to a hydroxyl group, an ether linkage, chlorine substitution, an aromatic ring system in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.

1-(3,4-Dichlorophenyl)hexan-1-one (CAS 68329-74-8), molecular formula C12H14Cl2O and molecular weight 245.14 g/mol, is a CATO reference standard with documented purity and traceability.

Structurally, 1-(3,4-Dichlorophenyl)hexan-1-one (C12H14Cl2O) contains a hydroxyl group, an ether linkage, chlorine substitution, an aromatic ring system. The molecule exhibits a degree of unsaturation (DBE) of 5.0, corresponding to approximately 5 ring(s) or double-bond equivalent(s). With a molecular weight of 245.14 g/mol, it falls into the medium-molecular-weight range. The presence of an aromatic ring or conjugated system gives the compound characteristic absorption bands in the UV-Vis region, making it well suited to UV or diode-array detection (DAD).

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 FormulaC12H14Cl2O
Molecular Weight245.14 g/mol
Purity97%+
StorageStore at room temperature, keep tightly closed to prevent evaporation
Solubility (reference)Soluble in chloroform, dichloromethane, ethyl acetate, DMSO
StabilityMay oxidize slowly on prolonged air exposure
Degree of Unsaturation (DBE)5.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1976
Halogen ContentCl-containing

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