2-METHYL-5-NITROINDOLE

The 1H-Indole,2-methyl-5-nitro- is an organic compound with the formula C₉H₈N₂O₂. The systematic name of this chemical is 2-methyl-5-nitro-1H-indole. With the CAS registry number 7570-47-0, it is also named as 5-Nitro-2-methyl-1H-indole. The product's categories are Building Blocks; Heterocyclic Building Blocks; Indoles. Besides, it is a yellow to orange-brown crystalline powder, which should be stored in a closed cool and dry place.

Physical properties about 1H-Indole,2-methyl-5-nitro- are: (1)ACD/LogP: 2.99; (2)#H bond acceptors: 4; (3)#H bond donors: 1; (4)#Freely Rotating Bonds: 1; (5)Polar Surface Area: 50.75 Å²; (6)Index of Refraction: 1.693; (7)Molar Refractivity: 49.89 cm³; (8)Molar Volume: 129.9 cm³; (9)Polarizability: 19.78×10^-24cm³; (10)Surface Tension: 61.3 dyne/cm; (11)Density: 1.355 g/cm³; (12)Flash Point: 174.9 °C; (13)Enthalpy of Vaporization: 58.78 kJ/mol; (14)Boiling Point: 365.6 °C at 760 mmHg; (15)Vapour Pressure: 3.27E-05 mmHg at 25°C.

Preparation: this chemical can be prepared by 2-methyl-indole. This reaction will need reagent NaNO₃, H₂SO₄. The yield is about 86%.

Uses of 1H-Indole,2-methyl-5-nitro-: it can be used to produce 1,2-dimethyl-5-nitro-indole at temperature of 20 °C. It will need reagent 50 percent aq. potassium hydroxide and solvent acetone with reaction time of 5 hours. The yield is about 90%.

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable protective clothing. In case of 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: [O-][N+](=O)c1cc2c(cc1)nc(c2)C
(2)InChI: InChI=1/C9H8N2O2/c1-6-4-7-5-8(11(12)13)2-3-9(7)10-6/h2-5,10H,1H3
(3)InChIKey: IDJGRXQMAHESOD-UHFFFAOYAR
(4)Std. InChI: InChI=1S/C9H8N2O2/c1-6-4-7-5-8(11(12)13)2-3-9(7)10-6/h2-5,10H,1H3
(5)Std. InChIKey: IDJGRXQMAHESOD-UHFFFAOYSA-N