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6-Methylindole

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Name

6-Methylindole

EINECS N/A
CAS No. 3420-02-8 Density 1.11 g/cm3
PSA 15.79000 LogP 2.47630
Solubility Insoluble in water. Melting Point 29-32 °C
Formula C9H9N Boiling Point 260.3 °C at 760 mmHg
Molecular Weight 131.177 Flash Point 109.6 °C
Transport Information N/A Appearance clear yellow to light brown liquid after melting
Safety 26-36 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 3420-02-8 (6-Methylindole) Hazard Symbols IrritantXi
Synonyms

Indole,6-methyl- (7CI,8CI);6-Methyl-1H-indole;

Article Data 7

6-Methylindole Specification

The 6-Methylindole, with the CAS registry number 3420-02-8, has the systematic name of 6-methyl-1H-indole. And the molecular formula of this chemical is C9H9N. It is a kind of clear yellow to light brown liquid after melting, and belongs to the following product categories: Blocks; Indoles Oxindoles; Indoles and derivatives; Pyrroles & Indoles; Indoles; Simple Indoles; Indole; Pyrroles & Indoles; Building Blocks; Heterocyclic Building Blocks. What's more, it should be stored at 0-6°C.

The physical properties of 6-Methylindole are as following: (1)ACD/LogP: 2.60; (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: 1.654; (8)Molar Refractivity: 43.35 cm3; (9)Molar Volume: 118.1 cm3; (10)Polarizability: 17.18×10-24cm3; (11)Surface Tension: 46.4 dyne/cm; (12)Density: 1.11 g/cm3; (13)Flash Point: 109.6 °C; (14)Enthalpy of Vaporization: 47.79 kJ/mol; (15)Boiling Point: 260.3 °C at 760 mmHg; (16)Vapour Pressure: 0.02 mmHg at 25°C.

Preparation of 6-Methylindole: This chemical can be prepared by 2-(2-amino-4-methyl-phenyl)-ethanol. The reaction will need catalyst RuCl2(PPh3)3, and solvent toluene. The reaction time is 6 hours with heating, and the yield is about 80%. 

6-Methylindole can be prepared by 2-(2-amino-4-methyl-phenyl)-ethanol

Uses of 6-Methylindole: It can react with 6-methyl-indole to produce 1-(tert-butoxycarbonyl)-6-methylindole. This reaction will need catalyst 4-DMAP, and the yield is about 86%.

6-Methylindole can react with 6-methyl-indole to produce 1-(tert-butoxycarbonyl)-6-methylindole

You should be cautious while dealing with this chemical. It irritates eyes, and also harmful if swallowed. What's more, it may cause sensitization by skin contact. Therefore, you had better take the following instructions: Wear suitable protective clothing and gloves, and in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: c1cc(cc2c1ccn2)C
(2)InChI: InChI=1/C9H9N/c1-7-2-3-8-4-5-10-9(8)6-7/h2-6,10H,1H3
(3)InChIKey: ONYNOPPOVKYGRS-UHFFFAOYAX

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