5-Fluoroindole , 98% , 399-52-0

Synonym(s):
NSC 88613

CAS NO.：399-52-0

Empirical Formula: C8H6FN

Molecular Weight: 135.14

MDL number: MFCD00005671

EINECS: 206-917-4

PRODUCT Properties

• Melting point: 45-48 °C (lit.)
• Boiling point: 120 °C / 1mmHg
• Density: 1.1203 (estimate)
• Flash point: >230 °F
• storage temp.: Keep in dark place,Inert atmosphere,2-8°C
• solubility: Chloroform (Slightly), Methanol (Slightly)
• pka: 16.16±0.30(Predicted)
• form: Crystalline Powder
• color: Off-white
• BRN: 112350
• InChI: InChI=1S/C8H6FN/c9-7-1-2-8-6(5-7)3-4-10-8/h1-5,10H
• InChIKey: ODFFPRGJZRXNHZ-UHFFFAOYSA-N
• SMILES: N1C2=C(C=C(F)C=C2)C=C1
• CAS DataBase Reference: 399-52-0(CAS DataBase Reference)
• NIST Chemistry Reference: 1H-indole, 5-fluoro-(399-52-0)

Description and Uses

5-Fluoroindole is a reactant used in various syntheses. It was used in the synthesis of Spirotetrahydro β-Carbolines (Spiroindolones), which is a new class of potent and orally efficacious compounds for the treatment of malaria. 5-Fluoroindole was also a reactant in direct indole and pyrrole couplings to carbonyl compound in total synthesis of Acremoauxin A and Oxazinin 3.

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
• Risk Statements: 36/37/38
• Safety Statements: 26-36
• WGK Germany: 3
• F: 10
• HazardClass: IRRITANT
• HS Code: 29339900