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HomeProduct name list2-Fluorobenzoic acid

2-Fluorobenzoic acid

  • CAS NO.:445-29-4
  • Empirical Formula: C7H5FO2
  • Molecular Weight: 140.11
  • MDL number: MFCD00002405
  • EINECS: 207-158-1
  • SAFETY DATA SHEET (SDS)
  • Update Date: 2024-08-21 22:41:43
2-Fluorobenzoic acid Structural

What is 2-Fluorobenzoic acid?

Chemical properties

white 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.

The Uses of 2-Fluorobenzoic acid

2-Fluorobenzoic acid is an intermediate of the fungicide tritriazole and meclofenamic acid.

The Uses of 2-Fluorobenzoic acid

2-Fluorobenzoic acid may be employed in the preparation of zaragozic acid A analogs. It is also used as an organic chemical synthesis intermediate.

Definition

ChEBI: 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.

Preparation

The 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.

Purification Methods

Crystallise 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.]

Properties of 2-Fluorobenzoic acid

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
pka 3.27(at 25℃)
color  White to light yellow
Water Solubility  Slightly soluble in water.
BRN  971265
InChI InChI=1S/C7H5FO2/c8-6-4-2-1-3-5(6)7(9)10/h1-4H,(H,9,10)
CAS DataBase Reference 445-29-4(CAS DataBase Reference)
NIST Chemistry Reference Benzoic acid, 2-fluoro-(445-29-4)
EPA Substance Registry System Benzoic acid, 2-fluoro- (445-29-4)

Safety information for 2-Fluorobenzoic acid

Signal word Warning
Pictogram(s)
ghs
Exclamation Mark
Irritant
GHS07
GHS Hazard Statements H315:Skin corrosion/irritation
H319:Serious eye damage/eye irritation
Precautionary Statement Codes P264:Wash hands thoroughly after handling.
P264:Wash skin thouroughly after handling.
P280:Wear protective gloves/protective clothing/eye protection/face protection.
P302+P352:IF ON SKIN: wash with plenty of soap and water.
P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.
P332+P313:IF SKIN irritation occurs: Get medical advice/attention.
P337+P313:IF eye irritation persists: Get medical advice/attention.

Computed Descriptors for 2-Fluorobenzoic acid

InChIKey NSTREUWFTAOOKS-UHFFFAOYSA-N
SMILES C(O)(=O)C1=CC=CC=C1F

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