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CAS No.: | 6127-17-9 |
---|---|
Name: | 6-CHLORO-2-METHYLINDOLE |
Article Data: | 12 |
Molecular Structure: | |
Formula: | C9H8ClN |
Molecular Weight: | 165.622 |
Synonyms: | Indole,6-chloro-2-methyl- (7CI,8CI);6-Chloro-2-methyl-1H-indole;6-Chloro-2-methylindole;NSC 115144; |
Density: | 1.273 g/cm3 |
Melting Point: | 75-77°C |
Boiling Point: | 302.7 °C at 760 mmHg |
Flash Point: | 165.3 °C |
Hazard Symbols: | Xi |
PSA: | 15.79000 |
LogP: | 3.12970 |
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The 1H-Indole,6-chloro-2-methyl-, with CAS registry number 6127-17-9, has the systematic name of 6-chloro-2-methyl-1H-indole. Besides this, it is also called 6-Chloro-2-methylindole. And the chemical formula of this chemical is C9H8ClN.
Physical properties of 1H-Indole,6-chloro-2-methyl-: (1)ACD/LogP: 3.20; (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: 1.663; (8)Molar Refractivity: 48.24 cm3; (9)Molar Volume: 130 cm3; (10)Polarizability: 19.12×10-24cm3; (11)Surface Tension: 49 dyne/cm; (12)Density: 1.273 g/cm3; (13)Flash Point: 165.3 °C; (14)Enthalpy of Vaporization: 52.12 kJ/mol; (15)Boiling Point: 302.7 °C at 760 mmHg; (16)Vapour Pressure: 0.00175 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Clc1ccc2c(c1)nc(c2)C
(2)InChI: InChI=1/C9H8ClN/c1-6-4-7-2-3-8(10)5-9(7)11-6/h2-5,11H,1H3
(3)InChIKey: NNJZGKJLPCDYQB-UHFFFAOYAU
(4)Std. InChI: InChI=1S/C9H8ClN/c1-6-4-7-2-3-8(10)5-9(7)11-6/h2-5,11H,1H3
(5)Std. InChIKey: NNJZGKJLPCDYQB-UHFFFAOYSA-N