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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p-Fluoro-3-nitrobenzoic acid

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4-Fluoro-3-nitrobenzoic acid 99%

4-FLUORO-3-NITROBENZOIC ACID

Afatinib Impurity 100

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uoro-3-nitrobenzoic Acid

3-Nitro-4-fluorobenzoic acid 4-FLUORO-3-NITROBENZOIC ACID 453-71-4 ART-CHEM-BB ACB001029 AS00991 BUTTPARK 32\01-78 RARECHEM AL BO 0969 TIMTEC-BB SBB008336

453-71-4

452-71-4

C7H4NO4F

C7F1H4N1O4

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