4-Chloro-5-fluoroindole supplier

Name
4-Chloro-5-fluoroindole
EINECS
CAS No. 169674-02-6
Article Data3
CAS DataBase
Density 1.437 g/cm³
Solubility
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
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 4-Chloro-5-fluoroindole;
PSA 15.79000
LogP 2.96040

4-Chloro-5-fluoroindole Specification

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

Product Name

4-Chloro-5-fluoroindole

4-Chloro-5-fluoroindole Specification

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