Product Name

  • Name

    1-(4-Trifluoromethylphenyl)-2-nitroethylene

  • EINECS
  • CAS No. 99696-01-2
  • Article Data57
  • CAS DataBase
  • Density 1.355 g/cm3
  • Solubility
  • Melting Point 94-96 °C(lit.)
  • Formula C9H6F3NO2
  • Boiling Point 254.8 °C at 760 mmHg
  • Molecular Weight 217.147
  • Flash Point 107.9 °C
  • Transport Information
  • Appearance
  • Safety 26-36
  • Risk Codes 20/21/22-36/37/38
  • Molecular Structure Molecular Structure of 99696-01-2 (1-(4-Trifluoromethylphenyl)-2-nitroethylene)
  • Hazard Symbols HarmfulXn
  • Synonyms BETA-NITRO-4-(TRIFLUOROMETHYL)STYRENE;1-(2-NITRO-VINYL)-4-BENZOTRIFLUORIDE;1-(2-NITRO-VINYL)-4-TRIFLUOROMETHYL-BENZENE;1-(4-(TRIFLUOROMETHYL)PHENYL)-2-NITROETHENE;1-(4-Trifluoromethylphenyl)-2-nitroethylene;1-Trifluoromethyl-4-(2-nitrovinyl)benzene;trans-4-Trifluoromethyl-beta-nitrostyrene;trans-beta-nitro-4-(trifluoromethyl)styrene
  • PSA 45.82000
  • LogP 3.47600

1-(4-Trifluoromethylphenyl)-2-nitroethylene Specification

The 1-(4-Trifluoromethylphenyl)-2-nitroethylene, with the CAS registry number 99696-01-2, has the systematic name of 1-[(E)-2-nitroethenyl]-4-(trifluoromethyl)benzene. It belongs to the product category of Ethanes. And the molecular formula of the chemical is C9H6F3NO2.

The characteristics of 1-(4-Trifluoromethylphenyl)-2-nitroethylene are as followings: (1)ACD/LogP: 3.10; (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: 1.517; (8)Molar Refractivity: 48.51 cm3; (9)Molar Volume: 160.1 cm3; (10)Polarizability: 19.23×10-24cm3; (11)Surface Tension: 33.7 dyne/cm; (12)Density: 1.355 g/cm3; (13)Flash Point: 107.9 °C; (14)Enthalpy of Vaporization: 47.24 kJ/mol; (15)Boiling Point: 254.8 °C at 760 mmHg; (16)Vapour Pressure: 0.027 mmHg at 25°C.  

You should be cautious while dealing with this chemical. It is harmful by inhalation, in contact with skin and if swallowed, and it also irritates to eyes, respiratory system and skin. Therefore, you had better take the following instructions: Wear suitable protective clothing, and 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: FC(F)(F)c1ccc(\C=C\[N+]([O-])=O)cc1
(2)InChI: InChI=1/C9H6F3NO2/c10-9(11,12)8-3-1-7(2-4-8)5-6-13(14)15/h1-6H/b6-5+
(3)InChIKey: CATQYSSYYQMLHV-AATRIKPKBT

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