2-Chloro-1-(4-ethynylphenyl)ethan-1-one CAS 98994-30-0

Purity 97%+In StockPharmaceutical Standards
CAS No.98994-30-0
Molecular FormulaC10H7ClO
Molecular Weight178.61 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

2-Chloro-1-(4-ethynylphenyl)ethan-1-one CAS 98994-30-0 chemical structure

Description

Compared with other compounds in its class, the molecular weight of 178.61 g/mol gives 2-Chloro-1-(4-ethynylphenyl)ethan-1-one distinctive chromatographic separation conditions and mass-spectrometry parameter settings.

2-Chloro-1-(4-ethynylphenyl)ethan-1-one (CAS 98994-30-0) is a high-purity analytical reference standard with the molecular formula C10H7ClO and a molecular weight of 178.61 g/mol.

Based on its molecular formula C10H7ClO, 2-Chloro-1-(4-ethynylphenyl)ethan-1-one contains a hydroxyl group, an ether linkage, chlorine substitution, an aromatic ring system; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 178.61 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), 2-Chloro-1-(4-ethynylphenyl)ethan-1-one 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 FormulaC10H7ClO
Molecular Weight178.61 g/mol
AppearanceOff-white to pale yellow crystalline powder. (slight halide-like odor)
Purity97%+
StorageStore at 2-8°C, protect from light, keep tightly closed to prevent evaporation
Solubility (reference)Soluble in chloroform, dichloromethane, ethyl acetate, DMSO
StabilityMay oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light
Degree of Unsaturation (DBE)7.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1985
Halogen ContentCl-containing

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