1-(3-Aminophenyl)-3,3,3-trifluoropropan-1-one CAS 13541-13-4

Purity 97%+In StockPharmaceutical Standards
CAS No.13541-13-4
Molecular FormulaC9H8F3NO
Molecular Weight203.16 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

1-(3-Aminophenyl)-3,3,3-trifluoropropan-1-one CAS 13541-13-4 chemical structure

Description

Structurally, 1-(3-Aminophenyl)-3,3,3-trifluoropropan-1-one (C9H8F3NO) contains a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, fluorine substitution. 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 203.16 g/mol, it falls into the medium-molecular-weight range. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.

1-(3-Aminophenyl)-3,3,3-trifluoropropan-1-one (CAS 13541-13-4), molecular formula C9H8F3NO and molecular weight 203.16 g/mol, is a CATO reference standard with documented purity and traceability.

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 FormulaC9H8F3NO
Molecular Weight203.16 g/mol
AppearanceOff-white to pale yellow crystalline powder. (slight halide-like odor, faint amine-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, water (slightly soluble)
StabilityMay oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light
Degree of Unsaturation (DBE)5.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1960
Halogen ContentF-containing
Nitrogen Atoms1

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