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
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)
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
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.
N-Bromosuccinimide Price
- Product number
- 329045
- Product name
- 4-Fluoro-3-nitrobenzoic acid
- Purity
- 98%
- Packaging
- 5g
- Price
- $26.5
- Updated
- 2025/07/31
- Product number
- 329045
- Product name
- 4-Fluoro-3-nitrobenzoic acid
- Purity
- 98%
- Packaging
- 25g
- Price
- $63.28
- Updated
- 2025/07/31
- Product number
- F0399
- Product name
- 4-Fluoro-3-nitrobenzoic Acid
- Purity
- >98.0%(GC)(T)
- Packaging
- 5g
- Price
- $39
- Updated
- 2025/07/31
- Product number
- F0399
- Product name
- 4-Fluoro-3-nitrobenzoic Acid
- Purity
- >98.0%(GC)(T)
- Packaging
- 25g
- Price
- $124
- Updated
- 2025/07/31
- Product number
- F593780
- Product name
- 4-Fluoro-3-nitrobenzoic acid
- Packaging
- 10g
- Price
- $100
- Updated
- 2021/12/16
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
- 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
- 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
- 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