2-(TRIFLUOROMETHOXY)PHENYL ISOTHIOCYANATE

The Benzene, 1-isothiocyanato-2-(trifluoromethoxy)-, with the CAS registry number 175205-33-1, is also known as 2-(Trifluoromethoxy)phenyl isothiocyanate. It belongs to the product category of Isothiocyanate. This chemical's molecular formula is C₈H₄F₃NOS and molecular weight is 219.18. What's more, its IUPAC name is 1-Isothiocyanato-2-(trifluoromethoxy)benzene.

Physical properties about Benzene, 1-isothiocyanato-2-(trifluoromethoxy)- are: (1)ACD/LogP: 5.03; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.03; (4)ACD/LogD (pH 7.4): 5.03; (5)ACD/BCF (pH 5.5): 3923.59; (6)ACD/BCF (pH 7.4): 3923.59; (7)ACD/KOC (pH 5.5): 13000.28; (8)ACD/KOC (pH 7.4): 13000.28; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 53.68 Å²; (13)Index of Refraction: 1.496; (14)Molar Refractivity: 48.77 cm³; (15)Molar Volume: 166.8 cm³; (16)Polarizability: 19.33×10^-24 cm³; (17)Surface Tension: 30.3 dyne/cm; (18)Density: 1.31 g/cm³; (19)Flash Point: 96.4 °C; (20)Enthalpy of Vaporization: 45.33 kJ/mol; (21)Boiling Point: 235.7 °C at 760 mmHg; (22)Vapour Pressure: 0.0754 mmHg at 25 °C.

When you are using this chemical, please be cautious about it as the following:
This chemical may cause burns. In addition, you should take off immediately all contaminated clothing. 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.

You can still convert the following datas into molecular structure:
(1) SMILES: FC(F)(F)Oc1ccccc1\N=C=S
(2) InChI: InChI=1/C8H4F3NOS/c9-8(10,11)13-7-4-2-1-3-6(7)12-5-14/h1-4H
(3) InChIKey: ZFEJYPIWOGCCFS-UHFFFAOYAA