102644

Ethyl 4-fluorobenzoate

99%

• Linear Formula: FC₆H₄CO₂C₂H₅
• CAS Number: 451-46-7
• Molecular Weight: 168.16
• Beilstein/REAXYS Number: 1866794
• EC Number: 207-194-8
• MDL number: MFCD00000351
• UNSPSC Code: 12352100
• PubChem Substance ID: 24846584
• NACRES: NA.22

Properties

• Quality Level: 100
• assay: 99%
• refractive index: n20/D 1.486 (lit.)
• bp: 210 °C (lit.)
• density: 1.146 g/mL at 25 °C (lit.)
• functional group: ester; fluoro
• SMILES string: CCOC(=O)c1ccc(F)cc1
• InChI: 1S/C9H9FO2/c1-2-12-9(11)7-3-5-8(10)6-4-7/h3-6H,2H2,1H3
• InChI key: UMPRJGKLMUDRHL-UHFFFAOYSA-N

Description

General description

Ethyl 4-fluorobenzoate is a clear colorless liquid. The purified [¹⁸F]fluoride is used for solution phase nucleophilic labeling of ethyl [¹⁸F]4-fluorobenzoate. Ethyl 4-fluorobenzoate causes N-arylation of 5-methoxyindole in presence of 18-crown-6 by using microwave-assisted technology.

Application

Ethyl 4-fluorobenzoate may be used in the synthesis of 4,4′-(1,4-piperazinediyl) bisbenzoic acid ethyl ester.

Safety Information

• Storage Class: 10 - Combustible liquids
• wgk_germany: WGK 3
• flash_point_f: 177.8 °F - closed cup
• flash_point_c: 81 °C - closed cup
• ppe: Eyeshields, Gloves, multi-purpose combination respirator cartridge (US)