The 5-Nitroindole, with the CAS registry number 6146-52-7, is also known as Indole, 5-nitro-. It belongs to the product categories of Blocks; Indoles Oxindoles; Nitro Compounds; Indole/Indoline/Oxindole; Indole Derivative; Indole and Indoline; Indoles and Derivatives; Indole Derivative; Pyrroles & Indoles; Indole; Indoles; Indole Derivatives; Functional Materials; Organic Nonlinear Optical Materials; Simple Indoles; Pyrroles & Indoles; Indoles Photonic and Optical Materials; Building Blocks; Heterocyclic Building Blocks; NLO Chromophores and Intermediates; Non-Linear Optical (NLO) Materials. Its EINECS registry number is 228-153-0.
This chemical's molecular formula is C8H6N2O2 and molecular weight is 162.14544. Its IUPAC name is called 5-nitro-1H-indole. What's more, this chemical's classification code is Mutation Data. The product should be sealed and stored in cool and dry place.
Physical properties of 5-Nitroindole:
(1)ACD/LogP: 2.52;
(2)ACD/LogD (pH 5.5): 2.515;
(3)ACD/LogD (pH 7.4): 2.515;
(4)ACD/BCF (pH 5.5): 48.005;
(5)ACD/BCF (pH 7.4): 48.005;
(6)ACD/KOC (pH 5.5): 556.004;
(7)ACD/KOC (pH 7.4): 556.004;
(8)#H bond acceptors: 4;
(9)#H bond donors: 1;
(10)#Freely Rotating Bonds: 1;
(11)Index of Refraction: 1.723;
(12)Molar Refractivity: 45.074 cm3;
(13)Molar Volume: 113.713 cm3;
(14)Surface Tension: 67.712 dyne/cm;
(15)Density: 1.426 g/cm3;
(16)Flash Point: 173.107 °C;
(17)Enthalpy of Vaporization: 58.463 kJ/mol;
(18)Boiling Point: 362.621 °C at 760 mmHg;
(19)Vapour Pressure: 0 mmHg at 25°C.
Preparation of 5-Nitroindole: this chemical can be prepared by 1-vinyl-pyrrolidin-2-one and 2-bromo-4-nitro-aniline. This reaction will need reagent triethylamine, catalysts palladium(II)acetate, tri-o-tolylphoshine and solvent acetonitrile . The reaction time is 20 hours with reaction temperature of 100 °C. The yield is about 52%.
