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| CAS No.: | 99696-01-2 |
|---|---|
| Name: | 1-(4-Trifluoromethylphenyl)-2-nitroethylene |
| Article Data: | 57 |
| Molecular Structure: | |
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|
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| Formula: | C9H6F3NO2 |
| Molecular Weight: | 217.147 |
| 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 |
| Density: | 1.355 g/cm3 |
| Melting Point: | 94-96 °C(lit.) |
| Boiling Point: | 254.8 °C at 760 mmHg |
| Flash Point: | 107.9 °C |
| Hazard Symbols: |
 Xn
|
| Risk Codes: | 20/21/22-36/37/38 |
| Safety: | 26-36 |
| PSA: | 45.82000 |
| LogP: | 3.47600 |
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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