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

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
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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)
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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
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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.

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N-Bromosuccinimide Price

TCI Chemical
Product number
F0670
Product name
3-Fluoro-4-nitrobenzoic Acid
Purity
>98.0%(GC)(T)
Packaging
5g
Price
$34
Updated
2025/07/31
TCI Chemical
Product number
F0670
Product name
3-Fluoro-4-nitrobenzoic Acid
Purity
>98.0%(GC)(T)
Packaging
25g
Price
$135
Updated
2025/07/31
TRC
Product number
F595033
Product name
3-Fluoro-4-nitrobenzoic Acid
Packaging
500mg
Price
$65
Updated
2021/12/16
TRC
Product number
F595033
Product name
3-Fluoro-4-nitrobenzoic Acid
Packaging
100mg
Price
$45
Updated
2021/12/16
TRC
Product number
F595033
Product name
3-Fluoro-4-nitrobenzoic Acid
Packaging
250mg
Price
$55
Updated
2021/12/16
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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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3-Fluoro-4-nitrobenzoic acid Suppliers

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

Hebei Chuanghai Biotechnology Co., Ltd
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
Zhuozhou Wenxi import and Export Co., Ltd
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
Zhuozhou Wenxi import and Export Co., Ltd
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

403-21-4, 3-Fluoro-4-nitrobenzoic acidRelated Search:

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  • uoro-4-nitrobenzoic Acid
  • 403-21-4
  • 403-21-1
  • Carboxylic Acids
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  • Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts
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  • FluoroCompounds
  • NitroCompounds
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