4-Nitro-2,3-dihydro-1H-indole

The 4-Nitro-2,3-dihydro-1H-indole, with the CAS registry number 84807-26-1, is also known as 4-Nitroindoline. This chemical's molecular formula is C₈H₈N₂O₂ and molecular weight is 164.16.

Physical properties of 4-Nitro-2,3-dihydro-1H-indolee are: (1)ACD/LogP: 1.78; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 17; (6)ACD/BCF (pH 7.4): 17; (7)ACD/KOC (pH 5.5): 262; (8)ACD/KOC (pH 7.4): 264; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 57.85 Å²; (13)Index of Refraction: 1.608; (14)Molar Refractivity: 43.709 cm³; (15)Molar Volume: 126.399 cm³; (16)Polarizability: 17.328×10^-24 cm³; (17)Surface Tension: 53.441 dyne/cm; (18)Density: 1.299 g/cm³; (19)Flash Point: 139.823 °C; (20)Enthalpy of Vaporization: 54.819 kJ/mol; (21)Boiling Point: 307.586 °C at 760 mmHg; (22)Vapour Pressure: 0.001 mmHg at 25 °C.

Preparation: this chemical can be prepared by 1-(2-chloroethyl)-2,6-dinitrobenzene with heating. This reaction will need reagents conc. HCl, Fe (filings) and solvent ethanol with the reaction time of 2 hours. The yield is about 73%.

Uses of 4-Nitro-2,3-dihydro-1H-indole: it can be used to produce 4-nitro-indole with heating. It will need reagent DDQ and solvent xylene with the reaction time of 2 hours. The yield is about 50%.

You can still convert the following datas into molecular structure:
(1)SMILES: [O-][N+](=O)c1cccc2NCCc12
(2)InChI: InChI=1/C8H8N2O2/c11-10(12)8-3-1-2-7-6(8)4-5-9-7/h1-3,9H,4-5H2
(3)InChIKey: VTQFDUKXUFJCAO-UHFFFAOYAM