1H-Indole-3-carboxaldehyde,5-fluoro- (2338-71-8)

The 5-Fluoro-1H-indole-3-carboxaldehyde with the cas number 2338-71-8 is also called 1H-Indole-3-carboxaldehyde,5-fluoro-. This chemical belongs to the following product categories: (1)Indoles and derivatives; (2)Other luminescent compounds; (3)Biochemicals and Reagents; (4)Luminescent Compounds/Detection. It is yellow to green crystalline and should be stored at −20°C.

The properties of the chemical are: (1)ACD/LogP: 1.74; (2)# of Rule of 5 Violations: 0 ; (3)#H bond acceptors: 2; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 1; (6)Polar Surface Area: 22Ų; (7)Index of Refraction: 1.695; (8)Molar Refractivity: 45.27 cm³; (9)Molar Volume: 117.7 cm³; (10)Polarizability: 17.94×10^-24cm³; (11)Surface Tension: 56.5 dyne/cm; (12)Enthalpy of Vaporization: 58.62 kJ/mol; (13)Vapour Pressure: 7.53×10^-5 mmHg at 25°C.

Uses: This chemical can react with nitromethane, to product (E)-5-fluoro-3-(2-nitroethenyl)-1H-indole. This reaction needs reagent ammonium acetate at heating condition. The reaction time is 1.5 hours. The yield is 60%.

When you are using this chemical, please be cautious about it as the following: (1)Irritating to eyes, respiratory system and skin; (2)In case of contact with eyes, rinse immediately with plenty of water and seek medical advice; (3)Wear suitable protective clothing.

You can still convert the following datas into molecular structure:
(1)SMILES: Fc1cc2c(cc1)ncc2C=O
(2)InChI: InChI=1/C9H6FNO/c10-7-1-2-9-8(3-7)6(5-12)4-11-9/h1-5,11H
(3)InChIKey: YUAJKGBLPVLADK-UHFFFAOYAY