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481904

Sigma-Aldrich

5-Fluoro-2-nitrobenzoic acid

98%

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About This Item

Linear Formula:
FC6H3(NO2)CO2H
CAS Number:
320-98-9
Molecular Weight:
185.11
MDL number:
MFCD00055635
UNSPSC Code:
12352100
PubChem Substance ID:
24871795
NACRES:
NA.22

assay

98%

mp

131-134 °C (lit.)

SMILES string

OC(=O)c1cc(F)ccc1[N+]([O-])=O

InChI

1S/C7H4FNO4/c8-4-1-2-6(9(12)13)5(3-4)7(10)11/h1-3H,(H,10,11)

InChI key

GHYZIXDKAPMFCS-UHFFFAOYSA-N

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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).

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

Certificates of Analysis (COA)

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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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