1-Butoxy-2-chloro-5-fluoro-4-methylbenzene CAS 1881331-87-8

Purity 97%+In StockPharmaceutical Standards
CAS No.1881331-87-8
Molecular FormulaC11H14ClFO
Molecular Weight216.68 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

1-Butoxy-2-chloro-5-fluoro-4-methylbenzene CAS 1881331-87-8 chemical structure

Description

The occurrence of 1-Butoxy-2-chloro-5-fluoro-4-methylbenzene is closely related to a hydroxyl group, an ether linkage, fluorine/chlorine substitution, an aromatic ring system in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.

1-Butoxy-2-chloro-5-fluoro-4-methylbenzene (CAS 1881331-87-8) is a high-purity analytical reference standard with the molecular formula C11H14ClFO and a molecular weight of 216.68 g/mol.

Structurally, 1-Butoxy-2-chloro-5-fluoro-4-methylbenzene (C11H14ClFO) contains a hydroxyl group, an ether linkage, fluorine/chlorine substitution, an aromatic ring system. The molecule exhibits a degree of unsaturation (DBE) of 4.0, corresponding to approximately 4 ring(s) or double-bond equivalent(s). With a molecular weight of 216.68 g/mol, it falls into the medium-molecular-weight range. 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 FormulaC11H14ClFO
Molecular Weight216.68 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)4.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1995
Halogen ContentF/Cl-containing

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