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62248-94-6

Basic Information
CAS No.: 62248-94-6
Name: 1-(3-Trifluoromethylphenyl)-2-nitroethylene
Article Data: 2
Molecular Structure:
Molecular Structure of 62248-94-6 (1-(3-Trifluoromethylphenyl)-2-nitroethylene)
Formula: C9H6F3NO2
Molecular Weight: 217.147
Synonyms: 3-(Trifluoromethyl)-b-nitrostyrene;1-(3-Trifluoromethylphenyl)-2-nitroethylene;
Density: 1.355 g/cm3
Melting Point: 75-77 °C(lit.)
Boiling Point: 265 °C at 760 mmHg
Flash Point: 114.1 °C
Hazard Symbols: HarmfulXn
Risk Codes: 20/21/22-36/37/38
Safety: 26-36
PSA: 45.82000
LogP: 3.47600
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Specification

The 1-(3-Trifluoromethylphenyl)-2-nitroethylene with the CAS number 62248-94-6 is also called Benzene,1-(2-nitroethenyl)-3-(trifluoromethyl)-. The systematic name is 1-[(E)-2-nitroethenyl]-3-(trifluoromethyl)benzene. Its molecular formula is C9H6F3NO2. This chemical is a kind of organics. It should be stored in dry and cool environment.

The properties of the chemical are: (1)ACD/LogP: 3.00; (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)Enthalpy of Vaporization: 48.27 kJ/mol; (13)Vapour Pressure: 0.0154 mmHg at 25°C.

While using this chemical, you should be very cautious. This chemical is harmful by inhalation, in contact with skin and if swallowed. It is not only irritating to skin, but also irritating to eyes and respiratory system. Therefore, you should take the following instructions. Firstly, you should wear suitable protective clothing. Then in case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: FC(F)(F)c1cccc(\C=C\[N+]([O-])=O)c1
(2)InChI: InChI=1/C9H6F3NO2/c10-9(11,12)8-3-1-2-7(6-8)4-5-13(14)15/h1-6H/b5-4+
(3)InChIKey: GOKALPUCIXWJLV-SNAWJCMRBV