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Ethyl 5-nitroindole-2-carboxylate

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Name

Ethyl 5-nitroindole-2-carboxylate

EINECS N/A
CAS No. 16732-57-3 Density 1.393 g/cm3
PSA 87.91000 LogP 2.77600
Solubility negligible Melting Point 220-225 °C
Formula C11H10N2O4 Boiling Point 429.5 °C at 760 mmHg
Molecular Weight 234.211 Flash Point 213.5 °C
Transport Information N/A Appearance yellow to brown powder
Safety 24/25 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 16732-57-3 (Ethyl 5-nitroindole-2-carboxylate) Hazard Symbols IrritantXi
Synonyms

5-Nitroindole-2-carboxylate;Ethyl 5-Nitro Indole-2-Carbonate;ethyl 5-nitro-1H-indole-2-carboxylate;

Article Data 22

Ethyl 5-nitroindole-2-carboxylate Specification

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

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