Ethyl 5-nitroindole-2-carboxylate

This chemical is called Ethyl 5-nitro-1H-indole-2-carboxylate, and its CAS registry number is 16732-57-3. With the molecular formula of C₁₁H₁₀N₂O₄, its molecular weight is 234.21. Additionally, its product category is Indole. It's often used for the production of pesticides, fragrances and dyes.

Other characteristics of the Ethyl 5-nitro-1H-indole-2-carboxylate can be summarised as followings: (1)ACD/LogP: 3.49; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 6; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 4; (6)Polar Surface Area: 77.05 Å²; (7)Index of Refraction: 1.652; (8)Molar Refractivity: 61.48 cm³; (9)Molar Volume: 168.1 cm³; (10)Polarizability: 24.37×10^-24cm³; (11)Surface Tension: 61.5 dyne/cm; (12)Density: 1.393 g/cm³; (13)Flash Point: 213.5 °C; (14)Enthalpy of Vaporization: 68.48 kJ/mol; (15)Boiling Point: 429.5 °C at 760 mmHg; (16)Vapour Pressure: 1.4E-07 mmHg at 25°C.

Production method of this chemical: The Ethyl 5-nitro-1H-indole-2-carboxylate could be obtained by the reactant of 2-(4-nitro-phenylhydrazono)-proπonic acid ethyl ester. This reaction needs the reagent of polyphosphoric acid.

Uses of this chemical: The 5-Nitroindole-2-carboxamide could be obtained by the Ethyl 5-nitro-1H-indole-2-carboxylate. This reaction needs the reagent of 20percent aq. NH₃, and the solvent of ethanol. The yield is 86 %. In addition, this reaction should be taken for 100 hours. The other condition is heating.

When you are using this chemical, please be cautious about it as the following: This chemical is irritating to eyes, respiratory system and skin. You should wear suitable protective clothing to avoid contacting with skin and eyes.

You can still convert the following datas into molecular structure: 
1.SMILES: [O-][N+](=O)c1cc2c(cc1)nc(c2)C(=O)OCC
2.InChI: InChI=1/C11H10N2O4/c1-2-17-11(14)10-6-7-5-8(13(15)16)3-4-9(7)12-10/h3-6,12H,2H2,1H3
3.InChIKey: DVFJMQCNICEPAI-UHFFFAOYAL