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102644

Ethyl 4-fluorobenzoate

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About This Item

Linear Formula:
FC6H4CO2C2H5
CAS Number:
451-46-7
Molecular Weight:
168.16
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
24846584
EC Number:
207-194-8
Beilstein/REAXYS Number:
1866794
MDL number:
MFCD00000351
Assay:
99%
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Quality Segment

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

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.

Storage Class

10 - Combustible liquids

WGK

WGK 3

Flash Point (°F)

177.8 °F - closed cup

Flash Point (°C)

81 °C - closed cup

PPE (personal protective equipment)

Eyeshields, Gloves, multi-purpose combination respirator cartridge (US)

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