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384-64-5

Basic Information
CAS No.: 384-64-5
Name: 3-(TRIFLUOROMETHYL)STYRENE
Article Data: 38
Molecular Structure:
Molecular Structure of 384-64-5 (3-(TRIFLUOROMETHYL)STYRENE)
Formula: C9H7F3
Molecular Weight: 172.15
Synonyms: Styrene, a-(trifluoromethyl)-(6CI,7CI,8CI);2-Phenyl-1,1,1-trifluoro-2-propene;2-Phenyl-3,3,3-trifluoropropene;a-(Trifluoromethyl)styrene;[1-(Trifluoromethyl)ethenyl]benzene;
Density: 1.135 g/cm3
Boiling Point: 181.1 °C at 760 mmHg
Flash Point: 54.8 °C
Hazard Symbols: IrritantXi
Risk Codes: 10-36/37/38
Safety: 16-26-36/37/39
PSA: 0.00000
LogP: 3.26210
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Specification

The Benzene,[1-(trifluoromethyl)ethenyl]-, with the CAS registry number 384-64-5, is also known as 2-Phenyl-3,3,3-trifluoropropene. This chemical's molecular formula is C9H7F3 and molecular weight is 172.15. What's more, its systematic name is [1-(trifluoromethyl)ethenyl]benzene.

Physical properties of Benzene,[1-(trifluoromethyl)ethenyl]- are: (1)ACD/LogP: 2.96; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.96; (4)ACD/LogD (pH 7.4): 2.96; (5)ACD/BCF (pH 5.5): 104.49; (6)ACD/BCF (pH 7.4): 104.49; (7)ACD/KOC (pH 5.5): 970.22; (8)ACD/KOC (pH 7.4): 970.22; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Index of Refraction: 1.452; (13)Molar Refractivity: 40.9 cm3; (14)Molar Volume: 151.6 cm3; (15)Polarizability: 16.21×10-24cm3; (16)Surface Tension: 24.1 dyne/cm; (17)Density: 1.135 g/cm3; (18)Flash Point: 54.8 °C; (19)Enthalpy of Vaporization: 40.03 kJ/mol; (20)Boiling Point: 181.1 °C at 760 mmHg; (21)Vapour Pressure: 1.18 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical is flammable, so you should keep it away from sources of ignition - No smoking. It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing.

You can still convert the following datas into molecular structure:
(1)SMILES: FC(F)(F)C(=C)\c1ccccc1
(2)InChI: InChI=1S/C9H7F3/c1-7(9(10,11)12)8-5-3-2-4-6-8/h2-6H,1H2
(3)InChIKey: RQXPGOCXZHCXDG-UHFFFAOYSA-N