1-(2-Chloroallyl)-3-fluoro-5-methylbenzene CAS 951888-85-0

Purity 97%+In StockPharmaceutical Standards
CAS No.951888-85-0
Molecular FormulaC10H10ClF
Molecular Weight184.64 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

1-(2-Chloroallyl)-3-fluoro-5-methylbenzene CAS 951888-85-0 chemical structure

Description

The occurrence of 1-(2-Chloroallyl)-3-fluoro-5-methylbenzene 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-(2-Chloroallyl)-3-fluoro-5-methylbenzene (CAS 951888-85-0) is a high-purity analytical reference standard with the molecular formula C10H10ClF and a molecular weight of 184.64 g/mol.

Owing to fluorine/chlorine substitution, an aromatic ring system, 1-(2-Chloroallyl)-3-fluoro-5-methylbenzene is typically off-white to pale yellow crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 184.64 g/mol — guide the selection of appropriate sample preparation and analytical techniques. The high carbon-to-hydrogen ratio imparts good lipophilicity, allowing liquid-liquid extraction with non-polar solvents such as n-hexane or ethyl acetate.

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 FormulaC10H10ClF
Molecular Weight184.64 g/mol
AppearanceOff-white to pale yellow crystalline powder. (slight halide-like odor, low volatility)
Purity97%+
StorageStore at 2-8°C, keep tightly closed to prevent evaporation
Solubility (reference)Soluble in chloroform, dichloromethane, ethyl acetate
StabilityMay oxidize slowly on prolonged air exposure
Degree of Unsaturation (DBE)5.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1987
Halogen ContentF/Cl-containing

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