3-Fluoro-4-nitrobenzoic acid
- Product Name
- 3-Fluoro-4-nitrobenzoic acid
- CAS No.
- 403-21-4
- Chemical Name
- 3-Fluoro-4-nitrobenzoic acid
- Synonyms
- BUTTPARK 32\01-75;3-Fluoro-4-nitrobenzoic;uoro-4-nitrobenzoic Acid;3-FLUORO-4-NITROBENZONICACID;3-FLUORO-4-NITROBENZOIC ACID;3-FLUORO-4-NITROBENZOIC CAID;3-Fluoro-4-nitrobenzoicacid95%;3-Fluoro-4-nitrobenzoicacid99%;4-Carboxy-2-fluoronitrobenzene;3-Fluoro-4-nitrobenzoicAcid>
- CBNumber
- CB9155507
- Molecular Formula
- C7H4FNO4
- Formula Weight
- 185.11
- MOL File
- 403-21-4.mol
3-Fluoro-4-nitrobenzoic acid Property
- Melting point:
- 174-175°C
- Boiling point:
- 372.8±27.0 °C(Predicted)
- Density
- 1.568±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- solubility
- soluble in Methanol
- form
- powder to crystal
- pka
- 3.08±0.10(Predicted)
- color
- White to Light yellow to Green
- InChI
- InChI=1S/C7H4FNO4/c8-5-3-4(7(10)11)1-2-6(5)9(12)13/h1-3H,(H,10,11)
- InChIKey
- WVZBIQSKLXJFNX-UHFFFAOYSA-N
- SMILES
- C(O)(=O)C1=CC=C([N+]([O-])=O)C(F)=C1
- CAS DataBase Reference
- 403-21-4(CAS DataBase Reference)
Safety
- Hazard Codes
- Xi,Xn
- Risk Statements
- 36/37/38-37/38-36-22
- Safety Statements
- 26-36/37/39-37
- HazardClass
- IRRITANT
- HS Code
- 29163990
Hazard and Precautionary Statements (GHS)
- Symbol(GHS)
-
- Signal word
- Warning
- Hazard statements
-
H315Causes skin irritation
H319Causes serious eye irritation
H335May cause respiratory irritation
- Precautionary statements
-
P261Avoid breathing dust/fume/gas/mist/vapours/spray.
P304+P340IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing.
P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.
P405Store locked up.
N-Bromosuccinimide Price
- Product number
- F0670
- Product name
- 3-Fluoro-4-nitrobenzoic Acid
- Purity
- >98.0%(GC)(T)
- Packaging
- 5g
- Price
- $34
- Updated
- 2025/07/31
- Product number
- F0670
- Product name
- 3-Fluoro-4-nitrobenzoic Acid
- Purity
- >98.0%(GC)(T)
- Packaging
- 25g
- Price
- $135
- Updated
- 2025/07/31
- Product number
- F595033
- Product name
- 3-Fluoro-4-nitrobenzoic Acid
- Packaging
- 100mg
- Price
- $45
- Updated
- 2021/12/16
- Product number
- F595033
- Product name
- 3-Fluoro-4-nitrobenzoic Acid
- Packaging
- 250mg
- Price
- $55
- Updated
- 2021/12/16
- Product number
- F595033
- Product name
- 3-Fluoro-4-nitrobenzoic Acid
- Packaging
- 500mg
- Price
- $65
- Updated
- 2021/12/16
3-Fluoro-4-nitrobenzoic acid Chemical Properties,Usage,Production
Uses
3-Fluoro-4-nitrobenzoic Acid is used in the synthesis of ABT-072, a non-nucleoside HCV NS5B polymerase inhibitor.
Synthesis
To a solution of 3-fluoro-4-nitrobenzyl alcohol (2.97 g) in acetone (60 ml) was added Jones reagent (13 ml), prepared from chromic acid (26.7 g) and sulfuric acid (23 ml) in water (100 ml), dropwise at 0°C. The mixture was stirred on a ice-bath for 0.5 h and quenched with isopropanol (20 ml) to be concentrated in vacuo. The residue was dissolved in ethyl acetate (30 ml) and washed with water (30 ml X 3), and brine (30 ml X 1), successively. The organic layer was dried over sodium sulfate and concentrated in vacuo to obtain a yellow solid, that was triturated with hexane. 3-fluoro-4-nitrobenzoic acid as a pale yellow solid (2.94 g, 92%).
References
[1] Patent: WO2009/130481, 2009, A1. Location in patent: Page/Page column 145
[2] Journal of Medicinal Chemistry, 2005, vol. 48, # 6, p. 1729 - 1744
[3] Patent: EP1820799, 2007, A1
[4] Patent: WO2006/51851, 2006, A1. Location in patent: Page/Page column 60-61
[5] Bioorganic and Medicinal Chemistry Letters, 2009, vol. 19, # 5, p. 1386 - 1391
3-Fluoro-4-nitrobenzoic acid Preparation Products And Raw materials
Raw materials
Preparation Products
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View Lastest Price from 3-Fluoro-4-nitrobenzoic acid manufacturers
- Product
- 3-Fluoro-4-nitrobenzoic acid 403-21-4
- Price
- US $30.00-10.00/KG
- Min. Order
- 50KG
- Purity
- 99%
- Supply Ability
- 500000kg
- Release date
- 2024-11-05
- Product
- 3-Fluoro-4-nitrobenzoic acid 403-21-4
- Price
- US $15.00-10.00/KG
- Min. Order
- 1KG
- Purity
- 99%+ HPLC
- Supply Ability
- Monthly supply of 1 ton
- Release date
- 2021-07-10
- Product
- 3-Fluoro-4-nitrobenzoic acid 403-21-4
- Price
- US $15.00-10.00/KG
- Min. Order
- 1KG
- Purity
- 99%+ HPLC
- Supply Ability
- Monthly supply of 1 ton
- Release date
- 2021-07-09