1,1'-Biphenyl,4-(trifluoromethyl)- (398-36-7)

The 4-Trifluoromethylbiphenyl, with the CAS registry number 398-36-7, is also known as 1,1'-Biphenyl, 4-(trifluoromethyl)-. It belongs to the product category of Naphthyridine,Quinoline. This chemical's molecular formula is C₁₃H₉F₃ and molecular weight is 222.21. Its systematic name is called 4-(Trifluoromethyl)biphenyl.

Physical properties about this chemical are: (1)ACD/LogP: 4.00; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 5; (4)ACD/LogD (pH 7.4): 5; (5)ACD/BCF (pH 5.5): 3377; (6)ACD/BCF (pH 7.4): 3377; (7)ACD/KOC (pH 5.5): 11676; (8)ACD/KOC (pH 7.4): 11676; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Index of Refraction: 1.505; (13)Molar Refractivity: 55.825 cm³; (14)Molar Volume: 188.229 cm³; (15)Surface Tension: 29.276 dyne/cm; (16)Density: 1.181 g/cm³; (17)Flash Point: 95.343 °C; (18)Enthalpy of Vaporization: 47.47 kJ/mol; (19)Boiling Point: 257.134 °C at 760 mmHg; (20)Vapour Pressure: 0.024 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 will irritate to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)SMILES: FC(F)(F)c2ccc(c1ccccc1)cc2
(2)InChI: InChI=1/C13H9F3/c14-13(15,16)12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9H
(3)InChIKey: OUMKBAHMPRLISR-UHFFFAOYAL