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| CAS No.: | 16863-96-0 |
|---|---|
| Name: | 2-CHLOROINDOLE |
| Molecular Structure: | |
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| Formula: | C8H6 Cl N |
| Molecular Weight: | 151.595 |
| Synonyms: | Indole,3-chloro- (6CI,8CI);3-Chloroindole;3-Chloro-1H-indole; |
| Density: | 1.331 g/cm3 |
| Melting Point: | 94-95 °C(Solv: hexane (110-54-3)) |
| Boiling Point: | 293 °C at 760 mmHg |
| Flash Point: | 158.9 °C |
| PSA: | 15.79000 |
| LogP: | 2.82130 |
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Specification
The 3-Chloro-1H-indole with the CAS number 16863-96-0 is also called 1H-Indole, 3-chloro-. Its molecular formula is C8H6ClN. This chemical belongs to the following product categories: (1)indole; (2)Indoles and derivatives. It should be stored in dry and cool environment.
The properties of the chemical are: (1)ACD/LogP:2.74; (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:1.688; (8)Molar Refractivity:43.42 cm3; (9)Molar Volume:113.8 cm3; (10)Polarizability:17.21×10-24cm3; (11)Surface Tension:52.6 dyne/cm; (12)Enthalpy of Vaporization:51.13 kJ/mol; (13)Vapour Pressure:0.00309 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Clc2c1ccccc1nc2
(2)InChI: InChI=1/C8H6ClN/c9-7-5-10-8-4-2-1-3-6(7)8/h1-5,10H
(3)InChIKey: GVSMQKKMAYLKMM-UHFFFAOYAX