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CAS No.: | 408355-23-7 |
---|---|
Name: | 7-BROMO-5-FLUOROINDOLE |
Article Data: | 6 |
Molecular Structure: | |
Formula: | C8H5BrFN |
Molecular Weight: | 214.037 |
Synonyms: | 5-Fluoro-7-bromoindole;7-Bromo-5-fluoro-1H-indole;7-Bromo-5-fluoroindole; |
Density: | 1.75 g/cm3 |
Melting Point: | 20-25°C |
Boiling Point: | 315.1 °C at 760 mmHg |
Flash Point: | 144.3 °C |
Hazard Symbols: | Xi |
Risk Codes: | 22-37/38-41 |
Safety: | 26-36/37/39 |
PSA: | 15.79000 |
LogP: | 3.06950 |
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The 1H-Indole, 7-bromo-5-fluoro-, with the CAS registry number 408355-23-7, is also known as 7-Bromo-5-fluoroindole. This chemical's molecular formula is C8H5BrFN and molecular weight is 214.03. What's more, its systematic name is 7-Bromo-5-fluoro-1H-indole. In addition, this chemical may cause inflammation to the skin or other mucous membranes. Besides, it should avoid contact with light.
Physical properties about 1H-Indole, 7-bromo-5-fluoro- are: (1)ACD/LogP: 2.96; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 1; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 0; (6)Polar Surface Area: 4.93 Å2; (7)Index of Refraction: 1.68; (8)Molar Refractivity: 46.21 cm3; (9)Molar Volume: 122.2 cm3; (10)Polarizability: 18.32×10-24 cm3; (11)Surface Tension: 52 dyne/cm; (12)Density: 1.75 g/cm3; (13)Flash Point: 144.3 °C; (14)Enthalpy of Vaporization: 53.41 kJ/mol; (15)Boiling Point: 315.1 °C at 760 mmHg; (16)Vapour Pressure: 0.000829 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: Fc1cc2c(c(Br)c1)ncc2
(2) InChI: InChI=1/C8H5BrFN/c9-7-4-6(10)3-5-1-2-11-8(5)7/h1-4,11H
(3) InChIKey: XOMFQRPHXMTJSG-UHFFFAOYAB