5-Fluoroindole-2-carboxylic acid
- Product Name
- 5-Fluoroindole-2-carboxylic acid
- CAS No.
- 399-76-8
- Chemical Name
- 5-Fluoroindole-2-carboxylic acid
- Synonyms
- 5-F-ICA;AKOS JY2082860;TIMTEC-BB SBB010058;2-CARBOXY-5-FLUOROINDOLE;2-Carboxy-5-fluoro-1H-indole;5-Fluor-1H-indol-2-carbonsure;5-FLUOROINDOLE-2-CARBOXYLIC ACID;5-Fluoro-2-indolecarboxylic acid;5-Fluoro-indol-2-carboxylic acid;5-Fluoroindole-2-carboxylicAcid>
- CBNumber
- CB1175936
- Molecular Formula
- C9H6FNO2
- Formula Weight
- 179.15
- MOL File
- 399-76-8.mol
5-Fluoroindole-2-carboxylic acid Property
- Melting point:
- 259 °C (dec.)(lit.)
- Boiling point:
- 422.2±25.0 °C(Predicted)
- Density
- 1.3231 (estimate)
- storage temp.
- Inert atmosphere,2-8°C
- form
- Crystalline Powder
- pka
- 4.27±0.30(Predicted)
- color
- Yellow-brown
- Water Solubility
- Insoluble
- BRN
- 153217
- InChI
- InChI=1S/C9H6FNO2/c10-6-1-2-7-5(3-6)4-8(11-7)9(12)13/h1-4,11H,(H,12,13)
- InChIKey
- WTXBRZCVLDTWLP-UHFFFAOYSA-N
- SMILES
- N1C2=C(C=C(F)C=C2)C=C1C(O)=O
- CAS DataBase Reference
- 399-76-8(CAS DataBase Reference)
Safety
- Hazard Codes
- Xi,F
- Risk Statements
- 36/37/38-15-10
- Safety Statements
- 26-37/39-43-36-7/8
- WGK Germany
- 3
- HazardClass
- IRRITANT
- HS Code
- 29339900
- Storage Class
- 11 - Combustible Solids
- Hazard Classifications
- Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
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.
P264Wash hands thoroughly after handling.
P264Wash skin thouroughly after handling.
P271Use only outdoors or in a well-ventilated area.
P280Wear protective gloves/protective clothing/eye protection/face protection.
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
- 265128
- Product name
- 5-Fluoroindole-2-carboxylic acid
- Purity
- 99%
- Packaging
- 5g
- Price
- $202
- Updated
- 2025/07/31
- Product number
- F0716
- Product name
- 5-Fluoroindole-2-carboxylic Acid
- Purity
- >98.0%(HPLC)(T)
- Packaging
- 1g
- Price
- $57
- Updated
- 2025/07/31
- Product number
- F0716
- Product name
- 5-Fluoroindole-2-carboxylic Acid
- Purity
- >98.0%(HPLC)(T)
- Packaging
- 5g
- Price
- $191
- Updated
- 2025/07/31
- Product number
- F592233
- Product name
- 5-Fluoroindole-2-carboxylic acid
- Packaging
- 500mg
- Price
- $45
- Updated
- 2021/12/16
- Product number
- 032776
- Product name
- 5-Fluoro-1H-indole-2-carboxylic acid
- Packaging
- 5g
- Price
- $47
- Updated
- 2021/12/16
5-Fluoroindole-2-carboxylic acid Chemical Properties,Usage,Production
Chemical Properties
yellow-brown crystalline powder
Uses
5-Fluoroindole-2-carboxylic acid,is an important raw material and intermediate used in Organic Synthesis, Pharmaceuticals, Agrochemicals and Dyestuff.
Uses
Reactant for the synthesis of:
- Fungicidal agents
- Antitumor agents
- 2,3-dioxygenase (IDO) inhibitors
- Factor Xa inhibitors
- Enantioselective D3 receptor antagonists
- Ligands for hFPRL1 (or ALXR) receptor in inflammation
- Antibacterial agents
- Inhibitors of hepatitis C virus NS3·4A protease
Definition
ChEBI: 5-fluoro-1H-indole-2-carboxylic acid is an indolyl carboxylic acid.
General Description
5-Fluoroindole-2-carboxylic acid is an antagonist of the glycine site within the NMDA (N-methyl-D-aspartate) receptor complex.
Synthesis
348-36-7
399-76-8
General procedure for the synthesis of 5-fluoroindole-2-carboxylic acid from ethyl 5-fluoroindole-2-carboxylate: 103.6 g of ethyl 5-fluoroindole-2-carboxylate was dissolved in a mixed solution consisting of 31.25 g of 96% sodium hydroxide, 183 mL of methanol, and 183 mL of water, and heated at reflux for 1 hour. After the reaction was completed, the reaction solution was cooled to 50 °C, and the pH was adjusted to 3-4 by slowly adding 10% hydrochloric acid solution dropwise.After the reaction solution was completely cooled, the precipitate was collected by filtration to obtain 84.7 g of off-white 5-fluoroindole-2-carboxylic acid in 95% yield, which was shown to contain ≥96% by HPLC analysis.
References
[1] Patent: CN104402795, 2017, B. Location in patent: Paragraph 0040; 0043
[2] Advanced Synthesis and Catalysis, 2016, vol. 358, # 24, p. 3938 - 3942
[3] European Journal of Medicinal Chemistry, 2011, vol. 46, # 7, p. 3149 - 3157
[4] Hoppe-Seyler's Zeitschrift fuer Physiologische Chemie, 1954, vol. 297, p. 229,233
[5] Journal of the Chemical Society, 1955, p. 1283,1284
5-Fluoroindole-2-carboxylic acid Preparation Products And Raw materials
Raw materials
Preparation Products
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View Lastest Price from 5-Fluoroindole-2-carboxylic acid manufacturers
- Product
- 5-Fluoroindole-2-carboxylic acid 399-76-8
- Price
- US $3.00-9.00/KG
- Min. Order
- 0.1KG
- Purity
- 99%
- Supply Ability
- g-kg-tons, free sample is available
- Release date
- 2025-06-27
- Product
- 5-Fluoroindole-2-carboxylic acid 399-76-8
- Price
- US $0.00/KG
- Min. Order
- 1KG
- Purity
- 99.0%
- Supply Ability
- 100 tons
- Release date
- 2022-02-21
- Product
- 5-Fluoroindole-2-carboxylic acid 399-76-8
- Price
- US $15.00-10.00/KG
- Min. Order
- 1KG
- Purity
- 99%+ HPLC
- Supply Ability
- Monthly supply of 1 ton
- Release date
- 2021-08-11