6-(trifluoromethyl)-1,2-dihydroquinazolin-2-one CAS 113082-33-0

Purity 97%+In StockPharmaceutical Standards
CAS No.113082-33-0
Molecular FormulaC9H13F3N2O
Molecular Weight222.21 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

6-(trifluoromethyl)-1,2-dihydroquinazolin-2-one CAS 113082-33-0 chemical structure

Description

The occurrence of 6-(trifluoromethyl)-1,2-dihydroquinazolin-2-one is closely related to an amide group, a hydroxyl group, an ether linkage, fluorine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.

6-(trifluoromethyl)-1,2-dihydroquinazolin-2-one (CAS 113082-33-0), molecular formula C9H13F3N2O and molecular weight 222.21 g/mol, is a CATO reference standard with documented purity and traceability.

Structurally, 6-(trifluoromethyl)-1,2-dihydroquinazolin-2-one (C9H13F3N2O) contains an amide group, a hydroxyl group, an ether linkage, fluorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 3.0, corresponding to approximately 3 ring(s) or double-bond equivalent(s). With a molecular weight of 222.21 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.

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 FormulaC9H13F3N2O
Molecular Weight222.21 g/mol
AppearanceWhite 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 DMSO, DMF, methanol
StabilityMay oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light
Degree of Unsaturation (DBE)3.0
UV AbsorptionUV-absorbing
CAS Registry Year (est.)1989
Halogen ContentF-containing
Nitrogen Atoms2

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