trans-4-(3,4,5-Trifluorophenyl)-trans-4'-propylbicyclohexane CAS 131819-23-3

Purity >95%In StockPharmaceutical Standards
CAS No.131819-23-3
Molecular FormulaC21H29F3
Molecular Weight338.45 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

trans-4-(3,4,5-Trifluorophenyl)-trans-4'-propylbicyclohexane CAS 131819-23-3 chemical structure

Description

The occurrence of trans-4-(3,4,5-Trifluorophenyl)-trans-4'-propylbicyclohexane is closely related to fluorine substitution, an aromatic ring system in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.

trans-4-(3,4,5-Trifluorophenyl)-trans-4'-propylbicyclohexane (CAS 131819-23-3), molecular formula C21H29F3 and molecular weight 338.45 g/mol, is a CATO reference standard with documented purity and traceability.

Structurally, trans-4-(3,4,5-Trifluorophenyl)-trans-4'-propylbicyclohexane (C21H29F3) contains fluorine substitution, an aromatic ring system. The molecule exhibits a degree of unsaturation (DBE) of 6.0, corresponding to approximately 6 ring(s) or double-bond equivalent(s). With a molecular weight of 338.45 g/mol, it falls into the moderately-high-molecular-weight range. The presence of an aromatic ring or conjugated system gives the compound characteristic absorption bands in the UV-Vis region, making it well suited to UV or diode-array detection (DAD).

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 FormulaC21H29F3
Molecular Weight338.45 g/mol
AppearanceOff-white to pale yellow crystalline powder. (slight halide-like odor, low volatility)
Purity>95%
StorageStore at 2-8°C, protect from light
Solubility (reference)Soluble in chloroform, dichloromethane, ethyl acetate
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.)1994
Halogen ContentF-containing

Related trans Standards

Recommended Standards

Why CATO?