Benzene,1-chloro-4-(2-nitroethenyl)- (706-07-0)

The 1-(4-Chlorophenyl)-2-nitroethene with the 706-07-0, is also called 1-Chloro-4-(2-nitrovinyl)benzene; trans-4-Chloro-beta-nitrostyrene.The systematic name is Benzene, 1-chloro-4-(2-nitroethenyl)- (9CI). Its molecular formula is C₈H₆ClNO₂. This chemical belongs to the following product categories: (1)Ethanes/ethenes; (2)Alkenyl; (3)Halogenated Hydrocarbons; (4)Organic Building Blocks.

The properties of the chemical are: (1)ACD/LogP: 2.67; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.67; (4)ACD/LogD (pH 7.4): 2.67; (5)ACD/BCF (pH 5.5): 62.92; (6)ACD/BCF (pH 7.4): 62.92; (7)ACD/KOC (pH 5.5): 674.84; (8)ACD/KOC (pH 7.4): 674.84; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 45.82Ų; (13)Index of Refraction: 1.615; (14)Molar Refractivity: 48.42 cm³; (15)Molar Volume: 138.6 cm³; (16)Polarizability: 19.19×10^-24cm³; (17)Surface Tension: 47.9 dyne/cm; (18)Enthalpy of Vaporization: 51.74 kJ/mol; (19)Vapour Pressure: 0.00218 mmHg at 25°C.

Preparation: This chemical can be prepared by the reaction of 4-chloro-benzaldehyde and nitromethane.

This reaction needs reagent sulfated zirconia  at microwave irradiation. The reaction time is 40 s. The yield is 92%.

Uses: This chemical can react with 2-hydroxy-5-methoxy-benzaldehyde, to product 2-(4-chloro-phenyl)-6-methoxy-3-nitro-2H-chromene.

This reaction needs reagent Et3N . The reaction time is 18 hours. The yield is 78%.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc1ccc(/C=C/[N+]([O-])=O)cc1
(2)InChI: InChI=1/C8H6ClNO2/c9-8-3-1-7(2-4-8)5-6-10(11)12/h1-6H/b6-5+ 

The toxicity data is as follows: