Benzene,1-fluoro-2-(2-nitroethenyl)- (399-25-7)

The 1-Fluoro-2-(2-nitrovinyl)benzene, with the CAS registry number 399-25-7 and EINECS registry number 206-915-3, has the systematic name and IUPAC name of 1-fluoro-2-[(E)-2-nitroethenyl]benzene. And the molecular formula of the chemical is C₈H₆FNO₂.

The characteristics of 1-Fluoro-2-(2-nitrovinyl)benzene are as followings: (1)ACD/LogP: 2.20; (2)# of Rule of 5 Violations: 0 ; (3)#H bond acceptors: 3; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 45.82 Å²; (7)Index of Refraction: 1.579; (8)Molar Refractivity: 43.52 cm³; (9)Molar Volume: 130.8 cm³; (10)Polarizability: 17.25×10^-24cm³; (11)Surface Tension: 43.4 dyne/cm; (12)Density: 1.276 g/cm³; (13)Flash Point: 107.7 °C; (14)Enthalpy of Vaporization: 47.21 kJ/mol; (15)Boiling Point: 254.5 °C at 760 mmHg; (16)Vapour Pressure: 0.0274 mmHg at 25°C.

Uses of 1-Fluoro-2-(2-nitrovinyl)benzene: It can react with acetyl chloride to produce chlorure de l'acide N-acetoxy chloro-2 (o.fluorophenyl)-2 acetohydroximique. This reaction will need reagent TiCl₄, and the menstruum CH₂Cl₂. The reaction time is 5 hours with temperature of 0°C, and the yield is about 28.5%.   

You should be cautious while dealing with this chemical. It irritates to eyes, respiratory system and skin, and also harmful if swollowed. Therefore, if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Fc1ccccc1/C=C/[N+]([O-])=O
(2)InChI: InChI=1/C8H6FNO2/c9-8-4-2-1-3-7(8)5-6-10(11)12/h1-6H/b6-5+
(3)InChIKey: NKZSNHAEWKEFNE-AATRIKPKBF