Product Name

  • Name

    1-Fluoro-2-(2-nitrovinyl)benzene

  • EINECS 206-915-3
  • CAS No. 399-25-7
  • Article Data16
  • CAS DataBase
  • Density 1.276 g/cm3
  • Solubility
  • Melting Point 55-57 °C
  • Formula C8H6FNO2
  • Boiling Point 254.5 °C at 760 mmHg
  • Molecular Weight 167.14
  • Flash Point 107.7 °C
  • Transport Information
  • Appearance
  • Safety 26
  • Risk Codes 22-36/37/38
  • Molecular Structure Molecular Structure of 399-25-7 (1-Fluoro-2-(2-nitrovinyl)benzene)
  • Hazard Symbols HarmfulXn
  • Synonyms Styrene,o-fluoro-b-nitro- (7CI,8CI);NSC 170713;o-Fluoro-b-nitrostyrene;
  • PSA 45.82000
  • LogP 2.59630

1-Fluoro-2-(2-nitrovinyl)benzene Specification

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

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