5-Fluoro-1-(prop-2-yn-1-yl)pyrimidine-2,4(1H,3H)-dione CAS 69849-33-8

Purity 97%+In StockPharmaceutical Standards
CAS No.69849-33-8
Molecular FormulaC7H5FN2O2
Molecular Weight168.13 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

5-Fluoro-1-(prop-2-yn-1-yl)pyrimidine-2,4(1H,3H)-dione CAS 69849-33-8 chemical structure

Description

Structurally, 5-Fluoro-1-(prop-2-yn-1-yl)pyrimidine-2,4(1H,3H)-dione (C7H5FN2O2) contains an amide group, a carboxylic acid group, a hydroxyl group, an ether linkage, 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 168.13 g/mol, it falls into the medium-molecular-weight range. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.

5-Fluoro-1-(prop-2-yn-1-yl)pyrimidine-2,4(1H,3H)-dione (CAS 69849-33-8) is a high-purity analytical reference standard with the molecular formula C7H5FN2O2 and a molecular weight of 168.13 g/mol.

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

CATO manufactures 5-Fluoro-1-(prop-2-yn-1-yl)pyrimidine-2,4(1H,3H)-dione 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 FormulaC7H5FN2O2
Molecular Weight168.13 g/mol
AppearanceOff-white to pale yellow crystalline powder. (slight halide-like odor, faint amine-like odor)
Purity97%+
StorageStore at 2-8°C, protect from light, keep sealed and dry, 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; Hygroscopic; reseal immediately after opening; Contains ester bond; hydrolyzes under strong alkaline conditions
Degree of Unsaturation (DBE)6.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1976
Halogen ContentF-containing
Nitrogen Atoms2

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