4-(TRIFLUOROMETHOXY)BENZOTRIFLUORIDE

The Benzene,1-(trifluoromethoxy)-4-(trifluoromethyl)-, with the CAS registry number 80258-33-9, is also known as Trifluoromethyl 4-(trifluoromethyl)phenyl ether. This chemical's molecular formula is C₈H₄F₆O and molecular weight is 230.11. What's more, its IUPAC name is 1-(trifluoromethoxy)-4-(trifluoromethyl)benzene.

Physical properties of Benzene,1-(trifluoromethoxy)-4-(trifluoromethyl)- are: (1)ACD/LogP: 4.43; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.43; (4)ACD/LogD (pH 7.4): 4.43; (5)ACD/BCF (pH 5.5): 1376.99; (6)ACD/BCF (pH 7.4): 1376.99; (7)ACD/KOC (pH 5.5): 6143.93; (8)ACD/KOC (pH 7.4): 6143.93; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 9.23 Å²; (13)Index of Refraction: 1.386; (14)Molar Refractivity: 38.36 cm³; (15)Molar Volume: 163.3 cm³; (16)Polarizability: 15.21×10^-24cm³; (17)Surface Tension: 19.8 dyne/cm; (18)Density: 1.408 g/cm³; (19)Flash Point: 40.3 °C; (20)Enthalpy of Vaporization: 35.56 kJ/mol; (21)Boiling Point: 133.4 °C at 760 mmHg; (22)Vapour Pressure: 10.4 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes. It may also cause damage to health. What's more, the product is irritating to eyes, respiratory system and skin. It is harmful by inhalation, in contact with skin and if swallowed. 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)Canonical SMILES: C1=CC=C(C=C1)C2=C(NC3=CC=CC=C32)C4=CC=CC=C4
(2)InChI: InChI=1S/C20H15N/c1-3-9-15(10-4-1)19-17-13-7-8-14-18(17)21-20(19)16-11-5-2-6-12-16/h1-14,21H
(3)InChIKey: GYGKJNGSQQORRG-UHFFFAOYSA-N