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| CAS No.: | 2338-71-8 |
|---|---|
| Name: | 5-FLUOROINDOLE-3-CARBOXALDEHYDE |
| Article Data: | 50 |
| Molecular Structure: | |
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|
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| Formula: | C9H6FNO |
| Molecular Weight: | 163.151 |
| Synonyms: | Indole-3-carboxaldehyde,5-fluoro- (7CI,8CI);3-Formyl-5-fluoroindole;5-Fluoro-1H-indole-3-carboxaldehyde;5-Fluoroindole-3-carboxaldehyde;NSC 88615; |
| Density: | 1.386 g/cm3 |
| Melting Point: | 164 °C |
| Boiling Point: | 342.423 °C at 760 mmHg |
| Flash Point: | 160.892 °C |
| Appearance: | yellow to green crystalline |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 36/37/38 |
| Safety: | 26-36 |
| PSA: | 32.86000 |
| LogP: | 2.11950 |
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Specification
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: 22Å2; (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