TRIS[3,5-BIS(TRIFLUOROMETHYL)PHENYL]PHOSPHINE

The Phosphine,tris[3,5-bis(trifluoromethyl)phenyl]-, with the CAS registry number 175136-62-6, has the systematic name of tris[3,5-bis(trifluoromethyl)phenyl]phosphane. It is a kind of air sensitive, and belongs to the following product categories: Catalysis and Inorganic Chemistry; Phosphine Ligands; Phosphorus Compounds. And the molecular formula of the chemical is C₂₄H₉F₁₈P. What's more, it should be kept under Nitrogen.

The characteristics of Phosphine,tris[3,5-bis(trifluoromethyl)phenyl]- are as followings: (1)ACD/LogP: 9.96; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): 9.96; (4)ACD/LogD (pH 7.4): 9.96; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 6243104.5; (8)ACD/KOC (pH 7.4): 6243104.5; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 13.59 Å²; (13)Flash Point: 191.7 °C; (14)Enthalpy of Vaporization: 61.8 kJ/mol; (15)Boiling Point: 393.3 °C at 760 mmHg; (16)Vapour Pressure: 4.88E-06 mmHg at 25°C. 

Preparation of Phosphine,tris[3,5-bis(trifluoromethyl)phenyl]-: This chemical can be prepared by 1-bromo-3,5-bis-trifluoromethyl-benzene. The reaction will need reagent tBuLi and PCl₃, and the menstruum diethyl ether. And the yield is about 32%.

You should be cautious while dealing with this chemical. It irritates to eyes, respiratory system and skin. Therefore, if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: FC(F)(F)c3cc(P(c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c2cc(cc(c2)C(F)(F)F)C(F)(F)F)cc(c3)C(F)(F)F
(2)InChI: InChI=1/C24H9F18P/c25-19(26,27)10-1-11(20(28,29)30)5-16(4-10)43(17-6-12(21(31,32)33)2-13(7-17)22(34,35)36)18-8-14(23(37,38)39)3-15(9-18)24(40,41)42/h1-9H
(3)InChIKey: ITJHLZVYLDBFOJ-UHFFFAOYAQ