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329045

4-Fluoro-3-nitrobenzoic acid

98%

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About This Item

Linear Formula:
FC6H3(NO2)CO2H
CAS Number:
453-71-4
Molecular Weight:
185.11
NACRES:
NA.22
PubChem Substance ID:
24859766
UNSPSC Code:
12352100
EC Number:
207-221-3
MDL number:
MFCD00007058
Assay:
98%
Form:
solid
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Quality Segment

100

assay

98%

form

solid

mp

123-126 °C (lit.)

solubility

95% ethanol: soluble 50 mg/mL, clear, light yellow

functional group

carboxylic acid, fluoro, nitro

SMILES string

OC(=O)c1ccc(F)c(c1)[N+]([O-])=O

InChI

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

InChI key

BOJWTAQWPVBIPG-UHFFFAOYSA-N

Application

4-Fluoro-3-nitrobenzoic acid was used:
  • as starting reagent in the preparation of novel benzimidazoles having antimycobacterial activity
  • in preparation of series of novel acetylcholinesterase (AChE) and butyrylcholinesterase (BChE) inhibitors containing benzimidazole core structure
  • in preparation of bis(heterocyclic) skeletal precursors for the Pictet-Spengler reaction
  • in solid-phase synthesis of trisubstituted [1,3,5]triazino[1,2-a]benzimidazole-2,4(3H,10H)-diones

pictograms

Exclamation mark
GHS07

signalword

Warning

Hazard Classifications

Acute Tox. 4 Oral - Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

target_organs

Respiratory system

Storage Class

11 - Combustible Solids

wgk

WGK 2

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

dust mask type N95 (US), Eyeshields, Gloves

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