5-Fluoroindole-2-carboxylic acid , 99% , 399-76-8

CAS NO.：399-76-8

Empirical Formula: C9H6FNO2

Molecular Weight: 179.15

MDL number: MFCD00005612

EINECS: 206-919-5

PRODUCT Properties

• 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)

Description and 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

Safety

• Symbol(GHS): GHS07
• Signal word: Warning
• Hazard statements: H315-H319-H335
• Precautionary statements: P261-P264-P271-P280-P302+P352-P305+P351+P338
• 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