3-(2-NITROVINYL)INDOLE

The CAS register number of 1H-Indole,3-(2-nitroethenyl)- is 3156-51-2. It also can be called as 2-(Indol-3-yl)-1-nitroethylene and the IUPAC name about this chemical is 3-[(Z)-2-nitroethenyl]-1H-indole. The molecular formula about this chemical is C₁₀H₈N₂O₂ and the molecular weight is 188.18.

Physical properties about 1H-Indole,3-(2-nitroethenyl)- are: (1)ACD/LogP: 2.07; (2)ACD/LogD (pH 5.5): 2.07; (3)ACD/LogD (pH 7.4): 2.07; (4)ACD/BCF (pH 5.5): 22; (5)ACD/BCF (pH 7.4): 22; (6)ACD/KOC (pH 5.5): 318.02; (7)ACD/KOC (pH 7.4): 318.02; (8)#H bond acceptors: 4; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 50.75Ų; (12)Index of Refraction: 1.734; (13)Molar Refractivity: 55.8 cm³; (14)Molar Volume: 139.1 cm³; (15)Polarizability: 22.12x10^-24cm³; (16)Surface Tension: 63.3 dyne/cm; (17)Enthalpy of Vaporization: 63.22 kJ/mol; (18)Boiling Point: 406.1 °C at 760 mmHg; (19)Vapour Pressure: 1.95E-06 mmHg at 25°C.

Preparation: this chemical can be prepared by indole-3-carbaldehyde and nitromethane. This reaction will need reagent ammonium acetate.

Uses of 1H-Indole,3-(2-nitroethenyl)-: it can be used to produce carbazole-1-carboxylic acid ethyl ester with acrylic acid ethyl ester at temperature of 130 - 140 ℃. This reaction will need reagent hydroquinone with reaction time of 25 hours. The yield is about 40%.

You can still convert the following datas into molecular structure:
(1)SMILES: [O-][N+](=O)\C=C/c2c1ccccc1nc2
(2)InChI: InChI=1/C10H8N2O2/c13-12(14)6-5-8-7-11-10-4-2-1-3-9(8)10/h1-7,11H/b6-5-
(3)InChIKey: IPASVEYYTNTJTM-WAYWQWQTBG
(4)Std. InChI: InChI=1S/C10H8N2O2/c13-12(14)6-5-8-7-11-10-4-2-1-3-9(8)10/h1-7,11H/b6-5-
(5)Std. InChIKey: IPASVEYYTNTJTM-WAYWQWQTSA-N