Basic Information | Post buying leads | Suppliers | Cas Database |
The 1H-Indole-3-carboxaldehyde,4,5,6,7-tetrafluoro-, with the CAS registry number 30683-38-6, is also known as 4,5,6,7-Tetrafluoroindole-3-carboxaldehyde. This chemical's molecular formula is C9H3F4NO and molecular weight is 217.12. What's more, its IUPAC name is 4,5,6,7-tetrafluoro-1H-indole-3-carbaldehyde.
Physical properties of 1H-Indole-3-carboxaldehyde,4,5,6,7-tetrafluoro- are: (1)ACD/LogP: 1.76; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.76; (4)ACD/LogD (pH 7.4): 1.76; (5)ACD/BCF (pH 5.5): 12.9; (6)ACD/BCF (pH 7.4): 12.9; (7)ACD/KOC (pH 5.5): 217.02; (8)ACD/KOC (pH 7.4): 217.02; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 22 Å2; (13)Index of Refraction: 1.61; (14)Molar Refractivity: 45.25 cm3; (15)Molar Volume: 130.3 cm3; (16)Polarizability: 17.94×10-24cm3; (17)Surface Tension: 48.6 dyne/cm; (18)Density: 1.665 g/cm3; (19)Flash Point: 159.8 °C; (20)Enthalpy of Vaporization: 58.41 kJ/mol; (21)Boiling Point: 340.6 °C at 760 mmHg; (22)Vapour Pressure: 8.53E-05 mmHg at 25°C.
Preparation: this chemical can be prepared by 1-acetyl-3-methyl-4,5,6,7-tetrafluoroindole at the temperature of 160°C. This reaction will need reagent selenium dioxide and solvent bis-(2-methoxy-ethyl) ether with the reaction time of 1.5 hours. The yield is about 86%.
Uses of 1H-Indole-3-carboxaldehyde,4,5,6,7-tetrafluoro-: it can be used to produce 3-(2-nitroethenyl)-4,5,6,7-tetrafluoroindole at the temperature of 50°C. It will need reagent ammonium acetate with the reaction time of 12 hours. The yield is about 90%.
When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes. It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing, gloves and eye/face protection.
You can still convert the following datas into molecular structure:
(1)SMILES: Fc1c(F)c(F)c(F)c2c1c(cn2)C=O
(2)Std. InChI: InChI=1S/C9H3F4NO/c10-5-4-3(2-15)1-14-9(4)8(13)7(12)6(5)11/h1-2,14H
(3)Std. InChIKey: BHGCCJJOMNIVOA-UHFFFAOYSA-N