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Key Documents

128384

Sigma-Aldrich

4-Fluorobenzoic acid

98%

Synonym(s):

p-Fluorobenzoic acid

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About This Item

Linear Formula:
FC6H4CO2H
CAS Number:
Molecular Weight:
140.11
Beilstein:
1906922
EC Number:
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22

Quality Level

Assay

98%

mp

182-184 °C (lit.)

solubility

alcohol: soluble
cold water: very slightly soluble
hot water: freely soluble

functional group

carboxylic acid
fluoro

SMILES string

OC(=O)c1ccc(F)cc1

InChI

1S/C7H5FO2/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,(H,9,10)

InChI key

BBYDXOIZLAWGSL-UHFFFAOYSA-N

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Application

4-Fluorobenzoic acid has been used in high resolution charge density study.

Pictograms

Exclamation mark

Signal Word

Warning

Hazard Statements

Hazard Classifications

Eye Irrit. 2 - Skin Irrit. 2

Storage Class Code

11 - Combustible Solids

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

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Eleonora von Abercron et al.
The Science of the total environment, 673, 384-391 (2019-04-17)
Because of their toxicity and biomagnification potential individual perfluoroalkyl and polyfluoroalkyl substances (PFAS) are regularly examined in food and environmental matrices by LC-MS/MS. The combustion ion chromatography (CIC) can be used to determine adsorbable organic fluorine (AOF) in aqueous samples.
Syed A Hasan et al.
Applied and environmental microbiology, 77(2), 572-579 (2010-11-26)
A consortium of the newly isolated bacterial strains Arthrobacter sp. strain G1 and Ralstonia sp. strain H1 utilized 4-fluorocinnamic acid for growth under aerobic conditions. Strain G1 converted 4-fluorocinnamic acid into 4-fluorobenzoic acid and used the two-carbon side chain for
Comparison of [18F]FBA and [18F]FPyMe as peptide radiolabeling agents of PEPHC1 for PET imaging of EGFRvIII.
Charlotte L Hansen et al.
Advances in experimental medicine and biology, 611, 405-406 (2009-04-30)
Benjamin J Hackel et al.
Journal of nuclear medicine : official publication, Society of Nuclear Medicine, 54(7), 1101-1105 (2013-05-15)
Integrin αvβ6 is a cell surface receptor minimally expressed by healthy tissue but elevated in lung, colon, skin, ovarian, cervical, and pancreatic cancers. A molecular PET agent for integrin αvβ6 could provide significant clinical utility by facilitating both cancer staging
Julien Andriès et al.
Bioorganic & medicinal chemistry letters, 20(12), 3730-3733 (2010-05-18)
In search of a serotonin 5-HT(7) radiotracer for positron emission tomography, we developed 1-[2-[(2S)-1-(phenylsulfonyl)pyrrolidin-2-yl]ethyl]piperidin-4-yl 4-fluorobenzoate. After labeling in good yield with fluorine-18 via nitro for fluorine exchange, preliminary biological experiments with autoradiographies failed to evidence any specific 5-HT(7) receptor delineation.

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