CAS No.395-45-9,2-(TRIFLUOROMETHYL)STYRENE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	395-45-9
Name:	2-(TRIFLUOROMETHYL)STYRENE
Article Data:	13

Formula:	C₉H₇F₃
Molecular Weight:	172.15
Synonyms:	Styrene,o-(trifluoromethyl)- (8CI);2-(Trifluoromethyl)styrene;o-Trifluoromethylstyrene;
EINECS:	206-902-2
Density:	1.156 g/cm³
Boiling Point:	145.2 °C at 760 mmHg
Flash Point:	42.2 °C
Appearance:	COLORLESS LIQUID
Hazard Symbols:	Xi
Risk Codes:	10-36/37/38
Safety:	16-26-36/37/39
Transport Information:	UN 1993
PSA:	0.00000
LogP:	3.34840

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Specification

The Benzene, 1-ethenyl-2-(trifluoromethyl)-, with the CAS registry number 395-45-9, is also known as 1-(Trifluoromethyl)-2-vinylbenzene. It belongs to the product categories of Monomers; Polymer Science; Styrene and Functionalized Styrene Monomers. And its EINECS registry number is 206-902-2. This chemical's molecular formula is C₉H₇F₃ and molecular weight is 172.15. What's more, its IUPAC name is 1-Ethenyl-2-(trifluoromethyl)benzene. In addition, it must be stored in airtight containers and placed in a dry, cool place. Besides, you should ensure the work place is well-ventilated.

Physical properties about Benzene, 1-ethenyl-2-(trifluoromethyl)- are: (1)ACD/LogP: 3.67; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.67; (4)ACD/LogD (pH 7.4): 3.67; (5)ACD/BCF (pH 5.5): 360.46; (6)ACD/BCF (pH 7.4): 360.46; (7)ACD/KOC (pH 5.5): 2353.97; (8)ACD/KOC (pH 7.4): 2353.97; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 0 Å²; (13)Index of Refraction: 1.478; (14)Molar Refractivity: 42.15 cm³; (15)Molar Volume: 148.8 cm³; (16)Polarizability: 16.71×10^-24 cm³; (17)Surface Tension: 23.9 dyne/cm; (18)Density: 1.156 g/cm³; (19)Flash Point: 42.2 °C; (20)Enthalpy of Vaporization: 36.65 kJ/mol; (21)Boiling Point: 145.2 °C at 760 mmHg; (22)Vapour Pressure: 6.19 mmHg at 25 °C.

Preparation of Benzene, 1-ethenyl-2-(trifluoromethyl)-: this chemical is prepared by a-Methyl-2-(trifluoromethyl)benzyl alcohol. The reaction needs reagent P₂O₅ and solvent Benzene. The reaction time is 4 hours. The yield is about 45 %.

The Benzene, 1-ethenyl-2-(trifluoromethyl)- can be obtained by a-Methyl-2-(trifluoromethyl)benzyl alcohol.

Uses of Benzene, 1-ethenyl-2-(trifluoromethyl)-: it is used to produce other chemicals. For example, it is used to produce 3-(2-Trifluoromethyl-phenyl)-acrylic acid ethyl ester. The reaction needs reagent Cl₂Ru=CHPh(PCy₃)[bis(1, 3-Mes-2-ylimidazolidine)] and solvent CH₂Cl₂. The reaction time is 12 hours with reaction temperature of 40 °C. The yield is about 44 %.

Benzene, 1-ethenyl-2-(trifluoromethyl)- can react with Acrylic acid ethyl ester to get 3-(2-Trifluoromethyl-phenyl)-acrylic acid ethyl ester.

When you are using this chemical, please be cautious about it as the following:
As a chemical, it is irritating to eyes, respiratory system and skin. In addition, this chemical may cause inflammation to the skin or other mucous membranes. During using it, wear suitable protective clothing, gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. Besides, this chemical is highly flammable, and it may catch fire on contacting with an ignition source. Hence, keep it away from sources of ignition.

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