Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
4-Chloro-5-fluoroindole |
EINECS | N/A |
CAS No. | 169674-02-6 | Density | 1.437 g/cm3 |
PSA | 15.79000 | LogP | 2.96040 |
Solubility | N/A | Melting Point |
21-22 °C(Solv: hexane (110-54-3)) |
Formula | C8H5ClFN | Boiling Point | 299.774 °C at 760 mmHg |
Molecular Weight | 169.586 | Flash Point | 135.099 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
4-Chloro-5-fluoroindole; |
Article Data | 3 |
The cas register number of 4-Chloro-5-fluoroindole is 169674-02-6. It also can be called as 1H-indole, 4-chloro-5-fluoro- and the Systematic name about this chemical is 4-chloro-5-fluoro-1H-indole.
Physical properties about 4-Chloro-5-fluoroindole are: (1)ACD/LogP: 3.41; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3; (4)ACD/LogD (pH 7.4): 3; (5)ACD/BCF (pH 5.5): 94; (6)ACD/BCF (pH 7.4): 94; (7)ACD/KOC (pH 5.5): 899; (8)ACD/KOC (pH 7.4): 899; (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: 1.657; (14)Molar Refractivity: 43.417 cm3; (15)Molar Volume: 118.032 cm3; (16)Surface Tension: 49.898 dyne/cm; (17)Density: 1.437 g/cm3; (18)Flash Point: 135.099 °C; (19)Enthalpy of Vaporization: 51.82 kJ/mol; (20)Boiling Point: 299.774 °C at 760 mmHg; (21)Vapour Pressure: 0.002 mmHg at 25°C.
People can use the following data to convert to the molecule structure.
1.SMILES: Fc1ccc2c(c1Cl)ccn2
2.InChI: InChI=1/C8H5ClFN/c9-8-5-3-4-11-7(5)2-1-6(8)10/h1-4,11H
3.InChIKey: TUYZSKJQXNCPLN-UHFFFAOYAN
4.Std. InChI: InChI=1S/C8H5ClFN/c9-8-5-3-4-11-7(5)2-1-6(8)10/h1-4,11H