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:
Assay:
98%
Form:
solid
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
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.
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.
signalword
Warning
hcodes
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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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)
Helvetica Chimica Acta, 68, 1444-1444 (1985)
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)
Octanol/Water partition coefficient of substituted benzene derivatives containing halogens and carboxyls: Determination using the shake-flask method and estimation using the fragment method.
Qiao Y, et al.
Journal of Chemical and Engineering Data, 53(1), 280-282 (2007)
A New and Versatile Synthesis of Thioflavanones from 2-Fluorobenzoic Acids.
Lee JI.
J. Korean Chem. Soc., 58(4) (2014)
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