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CAS No.: | 886362-21-6 |
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Name: | 4,6-DICHLORO-2-METHYLINDOLE |
Molecular Structure: | |
Formula: | C9H7Cl2N |
Molecular Weight: | 200.06 |
Synonyms: | 4,6-Dichloro-2-methylindole;4,6-Dichloro-2-methyl-1H-indole; |
Density: | 1.408 g/cm3 |
Boiling Point: | 336.7 °C at 760 mmHg |
Flash Point: | 187.8 °C |
PSA: | 15.79000 |
LogP: | 3.78310 |
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The 4,6-Dichloro-2-methylindole with the CAS number 886362-21-6 is also called 1H-Indole,4,6-dichloro-2-methyl-. Both the systematic name and IUPAC name are 4,6-dichloro-2-methyl-1H-indole. Its molecular formula is C9H7Cl2N. The product category is Indole. This chemical is a kind of organics. It should be stored in dry and cool environment.
The properties of the 4,6-Dichloro-2-methylindole are: (1)ACD/LogP: 3.81; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.81; (4)ACD/LogD (pH 7.4): 3.81; (5)#H bond acceptors: 1; (6)#H bond donors: 1; (7)#Freely Rotating Bonds: 0; (8)Polar Surface Area: 15.79 Å2; (9)Index of Refraction: 1.671; (10)Molar Refractivity: 53.14 cm3; (11)Molar Volume: 142 cm3; (12)Polarizability: 21.06×10-24cm3; (13)Surface Tension: 51.2 dyne/cm; (14)Enthalpy of Vaporization: 55.69 kJ/mol; (15)Vapour Pressure: 0.000216 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Clc2cc1nc(C)cc1c(Cl)c2
(2)InChI: InChI=1/C9H7Cl2N/c1-5-2-7-8(11)3-6(10)4-9(7)12-5/h2-4,12H,1H3
(3)InChIKey: UCUSJGONHVYQIE-UHFFFAOYAZ