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178039

Sigma-Aldrich

2-Chloro-6-fluorobenzoic acid

97%

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About This Item

Linear Formula:
ClC6H3(F)CO2H
CAS Number:
434-75-3
Molecular Weight:
174.56
Beilstein/REAXYS Number:
973857
EC Number:
207-105-2
MDL number:
MFCD00002417
UNSPSC Code:
12352100
PubChem Substance ID:
24850712

assay

97%

mp

155-157 °C (lit.)

SMILES string

OC(=O)c1c(F)cccc1Cl

InChI

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

InChI key

XNTIGDVFBDJLTQ-UHFFFAOYSA-N

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General description

2-Chloro-6-fluorobenzoic acid is a two-fold halogenated derivative of benzoic acid.

pictograms

Exclamation mark
GHS07

signalword

Warning

Hazard Classifications

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

target_organs

Respiratory system

Storage Class

11 - Combustible Solids

wgk_germany

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

dust mask type N95 (US), Eyeshields, Gloves

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Richard Betz et al.
Acta crystallographica. Section E, Structure reports online, 67(Pt 6), o1329-o1329 (2011-07-15)
The title compound, C(7)H(4)ClFO(2), is a twofold halogenated derivative of benzoic acid. The C-C-C angles within the aromatic moiety cover a range 116.11 (14)-123.96 (15)°, with the maximum and the minimum value next to each other. In the crystal, O-H⋯O hydrogen bonds
Gulce Ogruc Ildiz et al.
Molecules (Basel, Switzerland), 25(21) (2020-10-30)
This article presents a detailed comprehensive investigation of the ortho fluoro- and chloro- substituted benzoic acids both, as isolated molecules and in the crystalline phase. Quantum chemical calculations performed within the density functional theory (DFT) formalism are used to investigate
David Plouffe et al.
Proceedings of the National Academy of Sciences of the United States of America, 105(26), 9059-9064 (2008-06-27)
The growing resistance to current first-line antimalarial drugs represents a major health challenge. To facilitate the discovery of new antimalarials, we have implemented an efficient and robust high-throughput cell-based screen (1,536-well format) based on proliferation of Plasmodium falciparum (Pf) in

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