The Phosphine,tris(4-chlorophenyl)- is an organic compound with the formula C18H12Cl3P. The IUPAC name of this chemical is tris(4-chlorophenyl)phosphane. With the CAS registry number 1159-54-2, the product's categories are Ligand; Basic Phosphine LigandsCatalysis and Inorganic Chemistry; Catalysis and Inorganic Chemistry; Cross-Coupling; Phosphine Ligands; Phosphorus Compounds. Besides, it is a white to light yellow crystal powder, which should be stored in a closed cool and dry place.
Physical properties about Phosphine,tris(4-chlorophenyl)- are: (1)ACD/LogP: 7.48; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 7.48; (4)ACD/LogD (pH 7.4): 7.48; (5)ACD/BCF (pH 5.5): 282588.97; (6)ACD/BCF (pH 7.4): 282588.97; (7)ACD/KOC (pH 5.5): 277658.53; (8)ACD/KOC (pH 7.4): 277658.53; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 13.59 Å2; (11)Flash Point: 212.4 °C; (12)Enthalpy of Vaporization: 65.62 kJ/mol; (13)Boiling Point: 427.6 °C at 760 mmHg; (14)Vapour Pressure: 4.04E-07 mmHg at 25°C.
Uses of Phosphine,tris(4-chlorophenyl)-: it can be used to produce tris-(4-chloro-phenyl)-phosphine oxide at temperature of 0 °C. It will need reagent sulfur trioxide and solvent CH2Cl2. The yield is about 98%.
When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable 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: Clc3ccc(P(c1ccc(Cl)cc1)c2ccc(Cl)cc2)cc3
(2)InChI: InChI=1/C18H12Cl3P/c19-13-1-7-16(8-2-13)22(17-9-3-14(20)4-10-17)18-11-5-15(21)6-12-18/h1-12H
(3)InChIKey: IQKSLJOIKWOGIZ-UHFFFAOYAW
(4)Std. InChI: InChI=1S/C18H12Cl3P/c19-13-1-7-16(8-2-13)22(17-9-3-14(20)4-10-17)18-11-5-15(21)6-12-18/h1-12H
(5)Std. InChIKey: IQKSLJOIKWOGIZ-UHFFFAOYSA-N
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