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1-(3-Trifluoromethylphenyl)-2-nitroethylene

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Name

1-(3-Trifluoromethylphenyl)-2-nitroethylene

EINECS N/A
CAS No. 62248-94-6 Density 1.355 g/cm3
PSA 45.82000 LogP 3.47600
Solubility N/A Melting Point 75-77 °C(lit.)
Formula C9H6F3NO2 Boiling Point 265 °C at 760 mmHg
Molecular Weight 217.147 Flash Point 114.1 °C
Transport Information N/A Appearance N/A
Safety 26-36 Risk Codes 20/21/22-36/37/38
Molecular Structure Molecular Structure of 62248-94-6 (1-(3-Trifluoromethylphenyl)-2-nitroethylene) Hazard Symbols HarmfulXn
Synonyms

3-(Trifluoromethyl)-b-nitrostyrene;1-(3-Trifluoromethylphenyl)-2-nitroethylene;

Article Data 2

1-(3-Trifluoromethylphenyl)-2-nitroethylene 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

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