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Merck
CN

436763

4-Chloro-2-fluorobenzoic acid

98%

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About This Item

Linear Formula:
ClC6H3(F)CO2H
CAS Number:
Molecular Weight:
174.56
EC Number:
207-162-3
UNSPSC Code:
12352100
PubChem Substance ID:
Beilstein/REAXYS Number:
973358
MDL number:
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Product Name

4-Chloro-2-fluorobenzoic acid, 98%

InChI key

ZLPXBWMVZANJJQ-UHFFFAOYSA-N

InChI

1S/C7H4ClFO2/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3H,(H,10,11)

SMILES string

OC(=O)c1ccc(Cl)cc1F

assay

98%

form

solid

mp

204-208 °C (lit.)

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Application

4-Chloro-2-fluorobenzoic acid may be used in the following studies:
  • As starting reagent for the synthesis of furosemide.
  • Synthesis of 4′-chloro-2′-fluoroacetophenone.
  • Synthesis of novel herbicidal isoxazolecarboxamides.
  • Preparation of potential liquid crystals.

General description

4-Chloro-2-fluorobenzoic acid is a halogen benzoic acid. It is a non-liquid crystalline carboxylic acid derivative. It has been reported to form hydrogen bonded complexes with benzoylhydrazine-based azobenzene compound. Octanol/water partition coefficient Kow of 4-chloro-2-fluorobenzoic acid has been determined by shake-flask method.

pictograms

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Warning

Hazard Classifications

Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

target_organs

Respiratory system

Storage Class

11 - Combustible Solids

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Information

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Journal of Agricultural and Food Chemistry, 43, 219-219 (1995)
Self-assembled 1, 2-bis [4-(4-(10-decyloxy) phenylazo)] benzoylhydrazine dimer and its hydrogen-bonded complexes.
Yeap G-Y, et al.
Supramolecular Chemistry, 25(7), 424-431 (2013)
A New and Versatile Synthesis of Thioflavanones from 2-Fluorobenzoic Acids.
Lee JI.
J. Korean Chem. Soc., 58(4) (2014)
Selective lithiation/carbonation of polyhalobenzenes: an improved synthesis of furosemide-7-14C.
Perry CW, et al.
The Journal of Organic Chemistry, 43(22), 4391-4391 (1978)
Helvetica Chimica Acta, 68, 1444-1444 (1985)

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