1-Allyl-3-(trifluoromethoxy)benzene CAS 1417511-03-5

Purity 97%+In StockPharmaceutical Standards
CAS No.1417511-03-5
Molecular FormulaC10H9F3O
Molecular Weight202.17 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

1-Allyl-3-(trifluoromethoxy)benzene CAS 1417511-03-5 chemical structure

Description

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

1-Allyl-3-(trifluoromethoxy)benzene (CAS 1417511-03-5), molecular formula C10H9F3O and molecular weight 202.17 g/mol, is a CATO reference standard with documented purity and traceability.

Structurally, 1-Allyl-3-(trifluoromethoxy)benzene (C10H9F3O) contains a hydroxyl group, an ether linkage, fluorine 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 202.17 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 FormulaC10H9F3O
Molecular Weight202.17 g/mol
AppearanceOff-white to pale yellow crystalline powder. (slight halide-like odor, low volatility)
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.)1991
Halogen ContentF-containing

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