1-(2-NITROPHENYL)PYRROLE

The 1H-Pyrrole,1-(2-nitrophenyl)-, with CAS registry number 33265-60-0, has the systematic name of 1-(2-nitrophenyl)-1H-pyrrolato(2-). Besides this, it is also called 2-(1-pyrrolyl)nitrobenzene. And the chemical formula of this chemical is C₁₀H₈N₂O₂.

Physical properties of 1H-Pyrrole,1-(2-nitrophenyl)-: (1)ACD/LogP: 2.81; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.81; (4)ACD/LogD (pH 7.4): 2.81; (5)ACD/BCF (pH 5.5): 80.47; (6)ACD/BCF (pH 7.4): 80.47; (7)ACD/KOC (pH 5.5): 804.74; (8)ACD/KOC (pH 7.4): 804.74; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 50.75 Å²; (13)Index of Refraction: 1.613; (14)Molar Refractivity: 53.14 cm³; (15)Molar Volume: 152.6 cm³; (16)Polarizability: 21.06×10^-24cm³; (17)Surface Tension: 52.2 dyne/cm; (18)Density: 1.23 g/cm³; (19)Flash Point: 152.5 °C; (20)Enthalpy of Vaporization: 54.82 kJ/mol; (21)Boiling Point: 328.5 °C at 760 mmHg; (22)Vapour Pressure: 0.000361 mmHg at 25°C.

Preparation: this chemical can be prepared by 2,5-dimethoxy-tetrahydro-furan and 2-nitro-aniline. This reaction will need solvent Condensation.

Uses of 1H-Pyrrole,1-(2-nitrophenyl)-: it can be used to produce 2-pyrrol-1-yl-aniline. This reaction will need reagent NaBH₄-BiCl₃ and solvent ethanol.

You can still convert the following datas into molecular structure:
(1)SMILES: [O-][N+](=O)c1ccccc1n2cccc2
(2)InChI: InChI=1/C10H8N2O2/c13-12(14)10-6-2-1-5-9(10)11-7-3-4-8-11/h1-8H
(3)InChIKey: UQNRTIQURQZGKL-UHFFFAOYAL
(4)Std. InChI: InChI=1S/C10H8N2O2/c13-12(14)10-6-2-1-5-9(10)11-7-3-4-8-11/h1-8H
(5)Std. InChIKey: UQNRTIQURQZGKL-UHFFFAOYSA-N