481904
5-Fluoro-2-nitrobenzoic acid
98%
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About This Item
Linear Formula:
FC6H3(NO2)CO2H
CAS Number:
Molecular Weight:
185.11
NACRES:
NA.22
PubChem Substance ID:
UNSPSC Code:
12352100
MDL number:
Product Name
5-Fluoro-2-nitrobenzoic acid, 98%
InChI
1S/C7H4FNO4/c8-4-1-2-6(9(12)13)5(3-4)7(10)11/h1-3H,(H,10,11)
SMILES string
OC(=O)c1cc(F)ccc1[N+]([O-])=O
InChI key
GHYZIXDKAPMFCS-UHFFFAOYSA-N
assay
98%
mp
131-134 °C (lit.)
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General description
5-Fluoro-2-nitrobenzoic acid, an ortho-nitro benzoic acid derivative, can be prepared by the oxidation of 5-fluoro-2-nitrotoluene. It is an intermediate formed during the synthesis of N1-(2,4-dichlorophenyl)-2-amino-5-fluorobenzamide. It participates in the synthesis of novel quinazolinones that are potential inhibitors of p38α mitogen-activated protein kinase (MAPK).
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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Dearg S Brown et al.
Bioorganic & medicinal chemistry letters, 22(12), 3879-3883 (2012-05-23)
A novel, potent and selective quinazolinone series of inhibitors of p38α MAP kinase has been identified. Modifications designed to address the issues of poor aqueous solubility and high plasma protein binding as well as embedded aniline functionalities resulted in the
Solution and solid-phase approaches to quinconazole and fluquinconazole-inhibitors of fungal ergosterol biosynthesis.
Bilokin YV and Kovalenko SM.
Heterocyclic Communications, 6(5), 409-414 (2000)
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