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About This Item
Linear Formula:
ClC6H3(F)CO2H
CAS Number:
Molecular Weight:
174.56
Beilstein:
973857
EC Number:
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
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.
Signal Word
Warning
Hazard Statements
Precautionary Statements
Hazard Classifications
Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
Target Organs
Respiratory system
Storage Class Code
11 - Combustible Solids
WGK
WGK 3
Flash Point(F)
Not applicable
Flash Point(C)
Not applicable
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves
Certificates of Analysis (COA)
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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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