275883
3-Chloro-2-nitrobenzoic acid
97%
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About This Item
Linear Formula:
ClC6H3(NO2)CO2H
CAS Number:
Molecular Weight:
201.56
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
EC Number:
225-313-1
Beilstein/REAXYS Number:
2109828
MDL number:
Product Name
3-Chloro-2-nitrobenzoic acid, 97%
InChI key
VCHSXYHBMFKRBK-UHFFFAOYSA-N
InChI
1S/C7H4ClNO4/c8-5-3-1-2-4(7(10)11)6(5)9(12)13/h1-3H,(H,10,11)
SMILES string
OC(=O)c1cccc(Cl)c1[N+]([O-])=O
assay
97%
mp
237-239 °C (lit.)
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Application
3-Chloro-2-nitrobenzoic acid has been used in the preparation of:
- 2-amino-3-chlorobenzonitrile
- 3-chloro-2-nitrobenzaldehyde
General description
Hydrogen-bonded structures of isomeric compounds of 3-chloro-2-nitrobenzoic acid with quinoline have been investigated.
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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Kazuma Gotoh et al.
Acta crystallographica. Section C, Crystal structure communications, 65(Pt 10), o534-o538 (2009-10-07)
The structures of four isomeric compounds, all C7H4ClNO4.C9H7N, of quinoline with chloro- and nitro-substituted benzoic acid, namely, 2-chloro-5-nitrobenzoic acid-quinoline (1/1), (I), 3-chloro-2-nitrobenzoic acid-quinoline (1/1), (II), 4-chloro-2-nitrobenzoic acid-quinoline (1/1), (III), and 5-chloro-2-nitrobenzoic acid-quinoline (1/1), (IV), have been determined at 185 K.
Tadashi Kataoka et al.
Bioorganic & medicinal chemistry, 12(9), 2397-2407 (2004-04-15)
Condensation of nitrobenzaldehydes 3 and alpha-[o-(p-methoxybenzylthio)benzoyl] sulfoxide 4 gave alpha-sulfinyl enones 5. Treatment of 5 with formic acid caused cyclization followed by debenzylation to afford 3-(methylsulfinyl)thioflavanones 6. Double-bond formation with elimination of methanesulfenic acid was performed by refluxing 6 in
The synthesis and in vitro acetylcholinesterase and butyrylcholinesterase inhibitory activity of tacrine (Cognex?) derivaties.
Gregor VE, et al.
Bioorganic & Medicinal Chemistry Letters, 2(8), 861-864 (1992)
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