5-Bromo-1-methyl-1H-indole

The 5-Bromo-1-methyl-1H-indole, with CAS registry number 10075-52-2, belongs to the following product categories: (1)Blocks; (2)Bromides; (3)Indoles Oxindoles; (4)Indole. It has the systematic name of 5-bromo-1-methyl-1H-indole. Besides this, it is also called 1H-indole, 5-bromo-1-methyl-. And the chemical formula of this chemical is C₉H₈BrN.

Physical properties of 5-Bromo-1-methyl-1H-indole: (1)ACD/LogP: 3.31; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 1; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 0; (6)Polar Surface Area: 4.93 Å²; (7)Index of Refraction: 1.621; (8)Molar Refractivity: 50.24 cm³; (9)Molar Volume: 142.7 cm³; (10)Polarizability: 19.92×10^-24cm³; (11)Surface Tension: 41.5 dyne/cm; (12)Enthalpy of Vaporization: 51.93 kJ/mol; (13)Vapour Pressure: 0.00195 mmHg at 25°C.

Preparation: this chemical can be prepared by iodomethane and 5-bromo-indole. This reaction will need reagent NaH and solvent tetrahydrofuran. The yield is about 100%.

When you are using this chemical, please be cautious about it as the following:
The 5-Bromo-1-methyl-1H-indole irritates to eyes, respiratory system and skin. And this chemical is harmful if swallowed, so do not breathe dust. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: Brc1cc2c(cc1)n(cc2)C
(2)InChI: InChI=1/C9H8BrN/c1-11-5-4-7-6-8(10)2-3-9(7)11/h2-6H,1H3
(3)InChIKey: SBOITLSQLQGSLO-UHFFFAOYAY
(4)Std. InChI: InChI=1S/C9H8BrN/c1-11-5-4-7-6-8(10)2-3-9(7)11/h2-6H,1H3
(5)Std. InChIKey: SBOITLSQLQGSLO-UHFFFAOYSA-N