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Sigma-Aldrich

4-Fluorobenzoic acid

98%

Synonym(s):

p-Fluorobenzoic acid

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About This Item

Linear Formula:
FC6H4CO2H
CAS Number:
456-22-4
Molecular Weight:
140.11
Beilstein:
1906922
EC Number:
207-259-0
MDL number:
MFCD00002530
UNSPSC Code:
12352100
PubChem Substance ID:
24847853
NACRES:
NA.22

Assay

98%

mp

182-184 °C (lit.)

solubility

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

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
GHS07

Signal Word

Warning

Hazard Statements

H315,H319

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

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

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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.
Jan Marik et al.
Applied radiation and isotopes : including data, instrumentation and methods for use in agriculture, industry and medicine, 65(2), 199-203 (2006-08-29)
The widely used bifunctional labeling reagent 4-[18F]fluorobenzoic acid ([18F]FBA) and its activated form N-succinimidyl 4-[18F]fluorobenzoate ([18F]SFB) were prepared using a modified Siemens/CTI chemistry process control unit (CPCU) double vessel [18F]FDG module. The products were obtained with a radiochemical yield greater
J L Sutcliffe-Goulden et al.
Bioorganic & medicinal chemistry letters, 10(14), 1501-1503 (2000-07-29)
A strategy for the solid phase synthesis of [18F]labelled peptides has been developed. The peptides were prepared on solid support and acylated with 4-[18F]fluorobenzoic acid using HATU within 3 min and the labelled peptide was released from the solid support
Sharmarke Mohamed et al.
International journal of pharmaceutics, 418(2), 187-198 (2011-04-19)
The lattice energy landscape is calculated for three pyridinium carboxylate salts and the corresponding pyridine·carboxylic acid cocrystals. Experimentally, one system crystallizes as a salt, another as a cocrystal and the acidic proton in the third is disordered across the N(arom)...O
Paweł Szymanski et al.
European journal of medicinal chemistry, 46(8), 3250-3257 (2011-05-17)
The synthesis and biochemical evaluation of new hybrids of tacrine (THA) and 4-fluorobenzoic acid (4-FBA) possessing activity towards acetylcholinesterase (AChE) and butyrylcholinesterase (BuChE) inhibition are presented. The compounds of interest were obtained from the reaction of activated 4-FBA and diamino
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