ChemicalBook > CAS DataBase List > 4-Fluoro-3-nitrobenzoic acid

4-Fluoro-3-nitrobenzoic acid

Product Name
4-Fluoro-3-nitrobenzoic acid
CAS No.
453-71-4
Chemical Name
4-Fluoro-3-nitrobenzoic acid
Synonyms
3-NITRO-4-FLUOROBENZOIC ACID;NSC 10311;BUTTPARK 32\01-78;RARECHEM AL BO 0969;TIMTEC-BB SBB008336;Afatinib Impurity 100;4-Fluoro-3-nitrobenzoic;uoro-3-nitrobenzoic Acid;p-Fluoro-3-nitrobenzoic acid;4-FLUORO-3-NITROBENZOIC ACID
CBNumber
CB7378836
Molecular Formula
C7H4FNO4
Formula Weight
185.11
MOL File
453-71-4.mol
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4-Fluoro-3-nitrobenzoic acid Property

Melting point:
123-126 °C (lit.)
Boiling point:
92°C 15mm
Density 
1.5071 (estimate)
Flash point:
92°C/15mm
storage temp. 
Sealed in dry,Room Temperature
solubility 
95% ethanol: soluble50mg/mL, clear, light yellow
pka
3.54±0.10(Predicted)
form 
Powder or Crystals
color 
Light yellow to tan
Water Solubility 
insoluble
BRN 
2107562
InChI
InChI=1S/C7H4FNO4/c8-5-2-1-4(7(10)11)3-6(5)9(12)13/h1-3H,(H,10,11)
InChIKey
BOJWTAQWPVBIPG-UHFFFAOYSA-N
SMILES
C(O)(=O)C1=CC=C(F)C([N+]([O-])=O)=C1
CAS DataBase Reference
453-71-4(CAS DataBase Reference)
NIST Chemistry Reference
4-Fluoro-3-nitrobenzoic acid(453-71-4)
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Safety

Hazard Codes 
Xn,Xi
Risk Statements 
22-36/37/38
Safety Statements 
26-36-24/25
WGK Germany 
2
HazardClass 
IRRITANT
HS Code 
29163990
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Hazard and Precautionary Statements (GHS)

Symbol(GHS)
Signal word
Warning
Hazard statements

H302Harmful if swallowed

H315Causes skin irritation

H319Causes serious eye irritation

H335May cause respiratory irritation

Precautionary statements

P261Avoid breathing dust/fume/gas/mist/vapours/spray.

P264Wash hands thoroughly after handling.

P264Wash skin thouroughly after handling.

P270Do not eat, drink or smoke when using this product.

P301+P312IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell.

P302+P352IF ON SKIN: wash with plenty of soap and water.

P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

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N-Bromosuccinimide Price

Sigma-Aldrich
Product number
329045
Product name
4-Fluoro-3-nitrobenzoic acid
Purity
98%
Packaging
5g
Price
$26.5
Updated
2025/07/31
Sigma-Aldrich
Product number
329045
Product name
4-Fluoro-3-nitrobenzoic acid
Purity
98%
Packaging
25g
Price
$63.28
Updated
2025/07/31
TCI Chemical
Product number
F0399
Product name
4-Fluoro-3-nitrobenzoic Acid
Purity
>98.0%(GC)(T)
Packaging
5g
Price
$39
Updated
2025/07/31
TCI Chemical
Product number
F0399
Product name
4-Fluoro-3-nitrobenzoic Acid
Purity
>98.0%(GC)(T)
Packaging
25g
Price
$124
Updated
2025/07/31
TRC
Product number
F593780
Product name
4-Fluoro-3-nitrobenzoic acid
Packaging
10g
Price
$100
Updated
2021/12/16
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4-Fluoro-3-nitrobenzoic acid Chemical Properties,Usage,Production

Chemical Properties

white to light yellow crystal powder

Uses

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

Synthesis

456-22-4

453-71-4

General procedure for the synthesis of 4-fluoro-3-nitrobenzoic acid from 4-fluorobenzoic acid: Potassium nitrate (39.7 g, 0.39 mol, 1.1 eq.) was added in batches to a solution of 4-fluorobenzoic acid (50.0 g, 0.36 mol, 1.0 eq.) dissolved in concentrated sulphuric acid (180 ml) under cooling in an ice bath. The reaction mixture was stirred overnight at room temperature and then slowly poured over crushed ice (800 g) under continuous stirring. The resulting mixture was allowed to stand at room temperature overnight, followed by filtration and washing of the solid product with plenty of water. Finally, treatment by azeotropic drying with toluene afforded 59.5 g (90% yield) of 4-fluoro-3-nitrobenzoic acid as a light yellow solid.1H NMR (400 MHz, DMSO-d6): δ 7.69-7.74 (m, 1H), 8.29-8.32 (m, 1H), 8.56 (d, J=7.2 Hz, 1H), 13.75 ( br s, 1H).

References

[1] Patent: US2008/249101, 2008, A1. Location in patent: Page/Page column 20
[2] Journal of Medicinal Chemistry, 2003, vol. 46, # 10, p. 1905 - 1917
[3] Tetrahedron Letters, 2017, vol. 58, # 43, p. 4145 - 4148
[4] Journal of Organic Chemistry, 2014, vol. 79, # 11, p. 5134 - 5144
[5] Bulletin de la Classe des Sciences, Academie Royale de Belgique, 1921, vol. <5> 7, p. 536

4-Fluoro-3-nitrobenzoic acid Preparation Products And Raw materials

Raw materials

Preparation Products

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View Lastest Price from 4-Fluoro-3-nitrobenzoic acid manufacturers

ZHENGZHOU JIUYI TIME NEW MATERIALS CO,.LTD
Product
4-Fluoro-3-nitrobenzoic acid 453-71-4
Price
US $3.00-9.00/KG
Min. Order
0.1KG
Purity
99%
Supply Ability
g-kg-tons, free sample is available
Release date
2025-06-25
Shaanxi Dideu Medichem Co. Ltd
Product
4-Fluoro-3-nitrobenzoic acid 453-71-4
Price
US $20.00-7.00/KG
Min. Order
1KG
Purity
99%
Supply Ability
200000KG
Release date
2024-08-06
Zhuozhou Wenxi import and Export Co., Ltd
Product
4-Fluoro-3-nitrobenzoic acid 453-71-4
Price
US $15.00-10.00/KG
Min. Order
1KG
Purity
99%+ HPLC
Supply Ability
Monthly supply of 1 ton
Release date
2021-07-11

453-71-4, 4-Fluoro-3-nitrobenzoic acidRelated Search:

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  • 453-71-4
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  • C7H4NO4F
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