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CAS No.: | 3156-51-2 |
---|---|
Name: | 3-(2-NITROVINYL)INDOLE |
Article Data: | 59 |
Molecular Structure: | |
Formula: | C10H8N2O2 |
Molecular Weight: | 188.186 |
Synonyms: | 3-(2-Nitroethenyl)-1H-indole;3-(2-Nitrovinyl)indole;3-(b-Nitrovinyl)indole;NSC 81232;Indole,3-(2-nitrovinyl)- (6CI,7CI,8CI);2-(Indol-3-yl)-1-nitroethylene; |
EINECS: | 636-532-0 |
Density: | 1.352 g/cm3 |
Boiling Point: | 406.1 °C at 760 mmHg |
Flash Point: | 199.4 °C |
PSA: | 61.61000 |
LogP: | 2.93850 |
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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: 50.75Å2; (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