2-Fluorobenzoic acid

2-Fluorobenzoic acid
  • CAS No.:445-29-4

Important Notice

  1. This product is a chemical product/pharmaceutical intermediate. It is not a drug, an active pharmaceutical ingredient (API), or a pharmaceutical-grade material. It has not been granted a drug approval number or a Chemical Drug Substance Approval Notice, has not passed drug-related review and approval, and is not manufactured, tested, or released in accordance with pharmaceutical GMP.
  2. This product is intended solely for non-clinical research, process development, quality studies, further chemical processing, or chemical synthesis. It must not be used in drug-product manufacturing, clinical trials, clinical diagnosis, or administration to humans or animals, or be sold, used as an input, submitted for regulatory filing, or released as an API or pharmaceutical material.
  3. The purchaser must not use this product, or supply it to another party, for personal consumption, sports or fitness, weight loss, health supplements, food, or animal feed.
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2-Fluorobenzoic acid Chemical Properties
Melting point 122-125 °C (lit.)
Boiling point 114 °C
density 1,46 g/cm3
storage temp. Sealed in dry,Room Temperature
solubility 7.2g/l
form Crystalline Powder or Needles
pka3.27(at 25℃)
color White to light yellow
Water Solubility Slightly soluble in water.
BRN 971265
InChIKeyNSTREUWFTAOOKS-UHFFFAOYSA-N
CAS DataBase Reference445-29-4(CAS DataBase Reference)
NIST Chemistry ReferenceBenzoic acid, 2-fluoro-(445-29-4)
EPA Substance Registry SystemBenzoic acid, 2-fluoro- (445-29-4)
Safety Information
Hazard Codes Xi
Risk Statements 37/38-36/37/38
Safety Statements 22-26-28-24/25-37/39-36
WGK Germany 3
RTECS DH0250000
TSCA T
HazardClass IRRITANT
HS Code 29163900
MSDS Information
ProviderLanguage
2-Fluorobenzoic acid English
SigmaAldrich English
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2-Fluorobenzoic acid Usage And Synthesis
Chemical Propertieswhite to light yellow crystal powder. soluble in organic solvents such as benzene, toluene, ketone and ether.The corresponding 2-fluorobenzoyl chloride can be obtained by reacting 2-fluorobenzoic acid with an acid chloride agent such as SOCl2, PCl3, etc.
Uses2-Fluorobenzoic acid is an intermediate of the fungicide tritriazole and meclofenamic acid.
Uses2-Fluorobenzoic acid may be employed in the preparation of zaragozic acid A analogs. It is also used as an organic chemical synthesis intermediate.
PreparationThe preparation of 2-fluorobenzoic acid is based on anthranilic acid as raw material, adding anhydrous hydrogen fluoride and sodium nitrite in methoxyethyl methyl ether solvent for diazotization, refluxing for 3 hours, and post-processing to obtain the finished product.
DefinitionChEBI: 2-fluorobenzoic acid is a 2-halobenzoic acid that is benzoic acid carrying a fluoro substituent at position 2. It is a fluorobenzoic acid and a 2-halobenzoic acid. It is a conjugate acid of a 2-fluorobenzoate.
Purification MethodsCrystallise the acid from 50% aqueous EtOH, dilute HCl or *C6H6, then purify it by zone melting or vacuum sublimation at 130-140o. [Beilstein 9 H 333. 9 III 1324, 9 IV 950.]

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