4-(3,4-Dihydro-2H-benzo[b][1,4]dioxepin-7-yl)-6-(trifluoromethyl)pyrimidin-2-amine CAS 519056-64-5

Purity 97%+In StockPharmaceutical Standards
CAS No.519056-64-5
Molecular FormulaC14H12F3N3O2
Molecular Weight311.26 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

4-(3,4-Dihydro-2H-benzo[b][1,4]dioxepin-7-yl)-6-(trifluoromethyl)pyrimidin-2-amine CAS 519056-64-5 chemical structure

Description

Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.

4-(3,4-Dihydro-2H-benzo[b][1,4]dioxepin-7-yl)-6-(trifluoromethyl)pyrimidin-2-amine (CAS 519056-64-5) is a high-purity analytical reference standard with the molecular formula C14H12F3N3O2 and a molecular weight of 311.26 g/mol.

4-(3,4-Dihydro-2H-benzo[b][1,4]dioxepin-7-yl)-6-(trifluoromethyl)pyrimidin-2-amine (C14H12F3N3O2) contains a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, fluorine substitution. It is notably hygroscopic, halogen substitution raises its density and boiling point, the carboxyl group imparts weak acidity; these physicochemical properties determine the optimal preparation and storage of its standard solutions. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.

CATO manufactures 4-(3,4-Dihydro-2H-benzo[b][1,4]dioxepin-7-yl)-6-(trifluoromethyl)pyrimidin-2-amine under ISO 17034:2016 accreditation with dual CNAS and ANAB accreditation. Each batch is characterized by orthogonal methods and supplied with a full Certificate of Analysis (COA), ensuring metrological traceability.

Physical & Chemical Properties

Molecular FormulaC14H12F3N3O2
Molecular Weight311.26 g/mol
AppearancePale yellow to yellow crystalline powder. (slight halide-like odor, low volatility)
Purity97%+
StorageStore at 2-8°C, protect from light, keep sealed and dry
Solubility (reference)Soluble in DMSO, DMF, methanol
StabilityMay oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; Hygroscopic; reseal immediately after opening; Contains ester bond; hydrolyzes under strong alkaline conditions
Degree of Unsaturation (DBE)9.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1984
Halogen ContentF-containing
Nitrogen Atoms3

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