CAS No.3420-02-8,6-Methylindole Suppliers

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Basic Information

Molecular Structure:
CAS No.:	3420-02-8
Name:	6-Methylindole
Article Data:	7

Formula:	C₉H₉N
Molecular Weight:	131.177
Synonyms:	Indole,6-methyl- (7CI,8CI);6-Methyl-1H-indole;
Density:	1.11 g/cm³
Melting Point:	29-32 °C
Boiling Point:	260.3 °C at 760 mmHg
Flash Point:	109.6 °C
Solubility:	Insoluble in water.
Appearance:	clear yellow to light brown liquid after melting
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26-36
PSA:	15.79000
LogP:	2.47630

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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