Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
1H-Indole,6-chloro-2-methyl- |
EINECS | N/A |
CAS No. | 6127-17-9 | Density | 1.273 g/cm3 |
PSA | 15.79000 | LogP | 3.12970 |
Solubility | N/A | Melting Point |
75-77°C |
Formula | C9H8ClN | Boiling Point | 302.7 °C at 760 mmHg |
Molecular Weight | 165.622 | Flash Point | 165.3 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | Xi | |
Synonyms |
Indole,6-chloro-2-methyl- (7CI,8CI);6-Chloro-2-methyl-1H-indole;6-Chloro-2-methylindole;NSC 115144; |
Article Data | 12 |
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