4-Fluoroindole

The 4-Fluoroindole, with the CAS registry number 387-43-9, is also known as 1H-Indole, 4-fluoro-. It belongs to the product categories of Blocks; Fluoro Compounds; Indoles Oxindoles; Indoles and Derivatives; Heterocycles Series; Halides; Pyrroles & Indoles; Indoles; Simple Indoles; Indole; Pyrroles & Indoles; Building Blocks; Heterocyclic Building Blocks; Fluorinated Heterocyclic Series. This chemical's molecular formula is C₈H₆FN and molecular weight is 135.14. What's more, both its IUPAC name and systematic name are the same which is called 4-Fluoro-1H-indole.

Physical properties about 4-Fluoroindole are: (1)ACD/LogP: 2.715; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.72; (4)ACD/LogD (pH 7.4): 2.72; (5)ACD/BCF (pH 5.5): 68.18; (6)ACD/BCF (pH 7.4): 68.18; (7)ACD/KOC (pH 5.5): 714.72; (8)ACD/KOC (pH 7.4): 714.72; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0 ; (12)Polar Surface Area: 15.79 Å²; (13)Index of Refraction: 1.646; (14)Molar Refractivity: 38.522 cm³; (15)Molar Volume: 106.081 cm³; (16)Polarizability: 15.271×10^-24cm³; (17)Surface Tension: 47.055 dyne/cm; (18)Density: 1.274 g/cm³; (19)Flash Point: 109.863 °C; (20)Enthalpy of Vaporization: 47.562 kJ/mol; (21)Boiling Point: 258.047 °C at 760 mmHg; (22)Vapour Pressure: 0.023 mmHg at 25 °C.

Preparation of 4-Fluoroindole: this chemical can be prepared by 4-fluoro-1-methoxycarbonylindole. The reaction occurs with reagent NaOH and other condition of heating for 0.5 hours. The yield is 94.2 %.

Uses of 4-Fluoroindole: it is used to produce other chemicals. For example, it can react with dimethylamine and formaldehyde to get 3-dimethylaminomethyl-4-fluoroindole. This reaction needs solvents H₂O, acetic acid at ambient temperature. The reaction time is 48 hours. The yield is 81.7 %.

When you are dealing with this chemical, you should be very careful. This chemical is inflammation to the skin, eyes and respiratory system or other mucous membranes. Therefore, you should wear suitable protective clothing. In case of contacting with eyes, you should rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1) SMILES: Fc1cccc2c1ccn2
(2) InChI: InChI=1S/C8H6FN/c9-7-2-1-3-8-6(7)4-5-10-8/h1-5,10H
(3) InChIKey: ZWKIJOPJWWZLDI-UHFFFAOYSA-N