Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
1H-Indole,7-bromo-4-fluoro- |
EINECS | N/A |
CAS No. | 292636-09-0 | Density | 1.75 g/cm3 |
PSA | 15.79000 | LogP | 3.06950 |
Solubility | N/A | Melting Point |
N/A |
Formula | C8H5BrFN | Boiling Point | 314.2 °C at 760 mmHg |
Molecular Weight | 214.037 | Flash Point | 143.8 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | Xi | |
Synonyms |
4-Fluoro-7-bromoindole;7-Bromo-4-fluoroindole;7-Bromo-4-fluoro-1H-indole;1H-indole, 7-bromo-4-fluoro-; |
Article Data | 9 |
The 1H-Indole,7-bromo-4-fluoro-, with the CAS registry number 292636-09-0, has the systematic name of 7-bromo-4-fluoro-1H-indole. It is a kind of light sensitive chemical, and the molecular formula of the chemical is C8H5BrFN.
The characteristics of 1H-Indole,7-bromo-4-fluoro- are as followings: (1)ACD/LogP: 2.90; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.9; (4)ACD/LogD (pH 7.4): 2.9; (5)ACD/BCF (pH 5.5): 94.27; (6)ACD/BCF (pH 7.4): 94.27; (7)ACD/KOC (pH 5.5): 901.28; (8)ACD/KOC (pH 7.4): 901.28; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 4.93 Å2; (13)Index of Refraction: 1.68; (14)Molar Refractivity: 46.21 cm3; (15)Molar Volume: 122.2 cm3; (16)Polarizability: 18.32×10-24cm3; (17)Surface Tension: 52 dyne/cm; (18)Density: 1.75 g/cm3; (19)Flash Point: 143.8 °C; (20)Enthalpy of Vaporization: 53.32 kJ/mol; (21)Boiling Point: 314.2 °C at 760 mmHg; (22)Vapour Pressure: 0.000874 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Fc1ccc(Br)c2c1ccn2
(2)InChI: InChI=1/C8H5BrFN/c9-6-1-2-7(10)5-3-4-11-8(5)6/h1-4,11H
(3)InChIKey: PRXUTIXCOBFMMM-UHFFFAOYAI