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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

Quality Level

100

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

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)

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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
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
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