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Phosphine,tris[3,5-bis(trifluoromethyl)phenyl]-

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Name

Phosphine,tris[3,5-bis(trifluoromethyl)phenyl]-

EINECS N/A
CAS No. 175136-62-6 Density N/A
PSA 13.59000 LogP 9.55760
Solubility Insoluble in water. Melting Point 95 °C
Formula C24H9F18P Boiling Point 393.3 °C at 760 mmHg
Molecular Weight 670.28 Flash Point 191.7 °C
Transport Information N/A Appearance yellow-brown
Safety 26 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 175136-62-6 (TRIS[3,5-BIS(TRIFLUOROMETHYL)PHENYL]PHOSPHINE) Hazard Symbols IrritantXi
Synonyms

Tris(3,5-bis(trifluoromethyl)phenyl)phosphine;tris[3,5-bis(trifluoromethyl)phenyl]phosphane;Phosphine, tris[3,5-bis(trifluoromethyl)phenyl]-;tri[3,5-di(trifluoromethyl)phenyl]phosphine;Tris[3,5-bis(trifluoromethyl)phenyl]phosphine;

Article Data 8

Phosphine,tris[3,5-bis(trifluoromethyl)phenyl]- Specification

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

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