2-(TRIFLUOROMETHYL)PHENYL ISOTHIOCYANATE

This chemical is called Benzene,1-isothiocyanato-2-(trifluoromethyl)-, and its systematic name is 1-isothiocyanato-2-(trifluoromethyl)benzene. With the molecular formula of C₈H₄F₃NS, its molecular weight is 203.18. The CAS registry number of this chemical is 1743-86-8. Additionally, its product categories are Phenyl Isocyanate & Phenyl Isothiocyanate; Organic Building Blocks; Sulfur Compounds; Thiocyanates/Isothiocyanates. It should be sealed in the cool and dry place, away from oxides and water.

Other characteristics of the Benzene,1-isothiocyanato-2-(trifluoromethyl)- can be summarised as followings: (1)ACD/LogP: 4.21; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 1; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 1; (6)Polar Surface Area: 44.45 Å²; (7)Index of Refraction: 1.503; (8)Molar Refractivity: 47.38 cm³; (9)Molar Volume: 160.2 cm³; (10)Polarizability: 18.78×10^-24cm³; (11)Surface Tension: 29.1 dyne/cm; (12)Density: 1.26 g/cm³; (13)Flash Point: 98.8 °C; (14)Enthalpy of Vaporization: 45.74 kJ/mol; (15)Boiling Point: 239.8 °C at 760 mmHg; (16)Vapour Pressure: 0.0608 mmHg at 25°C.

Uses of this chemical: The Benzene,1-isothiocyanato-2-(trifluoromethyl)- could react with 2-amino-ethanol, and obtain the 1-(2-trifluoromethyl-phenyl)-imidazolidine-2-thione. This reaction needs the reagent of NaOH, and the solvent of ethanol. The yield is 20 %. In addition, this reaction should be taken for 3 hours. The other condition is heating.

When you are using this chemical, please be cautious about it as the following: This chemical causes burns. You should wear suitable protective clothing if you use it. In case of contacting with eyes, 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)c1ccccc1/N=C=S
2.InChI: InChI=1/C8H4F3NS/c9-8(10,11)6-3-1-2-4-7(6)12-5-13/h1-4H
3.InChIKey: FCEKLQPJGXIQRY-UHFFFAOYAL