4-Fluorobenzoic acid

4-Fluorobenzoic acid Basic information
Description Reference
Product Name:4-Fluorobenzoic acid
Synonyms:4-FLUOROBENZOIC ACID;AKOS 92636;4-fluoro-benzoicaci;Benzoic acid, p-fluoro-;Benzoicacid,4-fluoro-;fluorobenzoicacid;para-Fluorobenzoic acid;p-Fluorobenzoic Acid 4-Fluorobenzoic Acid
CAS:456-22-4
MF:C7H5FO2
MW:140.11
EINECS:207-259-0
Product Categories:carboxylic acid| alkyl Fluorine;Carboxylic Acids;Benzene derivatives;Phenyls & Phenyl-Het;C7;Carbonyl Compounds;Fluorin-contained Benzoic acid series;Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts;Carboxylic Acids;Phenyls & Phenyl-Het;Fluorobenzene;API intermediates;bc0001
Mol File:456-22-4.mol
4-Fluorobenzoic acid Structure
4-Fluorobenzoic acid Chemical Properties
Melting point 182-184 °C (lit.)
Boiling point 117 °C
density 1.479
storage temp. Sealed in dry,Room Temperature
solubility alcohol: soluble
pka4.15(at 25℃)
form Crystalline Powder
color White to slightly yellow
Water Solubility Soluble in alcohol, hot water, methanol, and ether. Very slightly soluble in cold water.
Merck 14,4171
BRN 1906922
InChIKeyBBYDXOIZLAWGSL-UHFFFAOYSA-N
CAS DataBase Reference456-22-4(CAS DataBase Reference)
NIST Chemistry ReferenceBenzoic acid, 4-fluoro-(456-22-4)
EPA Substance Registry SystemBenzoic acid, 4-fluoro- (456-22-4)
Safety Information
Hazard Codes Xn,Xi
Risk Statements 22-41-36/37/38
Safety Statements 26-39-24/25-22-37/39-36
WGK Germany 3
TSCA T
HazardClass IRRITANT
HS Code 29163900
MSDS Information
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4-Fluorobenzoic acid Usage And Synthesis
Description4-Fluorobenzoic acid is used as an intermediate in organic synthesis. For instance, it is used to synthesize N-cuccinimidyl 4-[18F]-fluorobenzoate, which is used for the 18F labeling of antibodies. It has been used in high resolution charge density study.
ReferenceAG. Vaidyanathan, M. R. Zalutsky, Improved Synthesis of N-Succinimidyl 4-[18F]Fluorobenzoate and Its Application to the Labeling of a Monoclonal Antibody Fragment, Bioconjuate Chemistry, 1994, vol. 5, pp. 352-356
Chemical Propertieswhite to light yellow crystal powder
Uses4-Fluorobenzoic acid has been used in high resolution charge density study.
DefinitionChEBI: A fluorobenzoic acid carrying a fluoro substituent at position 4.
Purification MethodsCrystallise the acid from 50% aqueous EtOH, then purify it by zone melting or vacuum sublimation at 130-140o. [Beilstein 9 H 333, 9 III 1327, 9 IV 953.]
Methyl 4-fluorobenzoate Ethyl 4-fluorobenzoate 4-Fluorobenzonitrile 4-Fluorobenzaldehyde 4-Fluorobenzamide 4-Bromofluorobenzene FENFLURAMINE 4-Fluoroanisole 2,6-Difluorobenzoic acid 4-Fluorobenzoic acid Stearic acid Folic acid Tetrafluorophthalic acid 4-Bromo-2-Fluorobenzoic Acid 2-Fluoro-4-Bromobenzoic Acid 2-Amino-4-Fluorobenzoic Acid 99% 4-(4-Fluorobenzoyl)butyric acid Florfenicol Pentafluorobenzoic acid

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