1-(3-chloroprop-1-yn-1-yl)-4-fluorobenzene CAS 1179597-72-8

Purity 97%+In StockPharmaceutical Standards
CAS No.1179597-72-8
Molecular FormulaC9H6ClF
Molecular Weight168.60 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

1-(3-chloroprop-1-yn-1-yl)-4-fluorobenzene CAS 1179597-72-8 chemical structure

Description

The occurrence of 1-(3-chloroprop-1-yn-1-yl)-4-fluorobenzene is closely related to fluorine/chlorine substitution, an aromatic ring system in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.

1-(3-chloroprop-1-yn-1-yl)-4-fluorobenzene (CAS 1179597-72-8) is a high-purity analytical reference standard with the molecular formula C9H6ClF and a molecular weight of 168.60 g/mol.

Based on its molecular formula C9H6ClF, 1-(3-chloroprop-1-yn-1-yl)-4-fluorobenzene contains fluorine/chlorine substitution, an aromatic ring system; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 168.60 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.

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 FormulaC9H6ClF
Molecular Weight168.60 g/mol
AppearanceOff-white to pale yellow crystalline powder. (slight halide-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
StabilityMay oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light
Degree of Unsaturation (DBE)6.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1989
Halogen ContentF/Cl-containing

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