2-BROMOPHENYLDIPHENYLPHOSPHINE

The Phosphine,(2-bromophenyl)diphenyl-, with the CAS registry number 62336-24-7, is also known as 2-(Diphenylphosphino)-1-bromobenzene. Its EINECS number is 263-515-1 and its systematic name is (2-Bromophenyl)(diphenyl)phosphane. This chemical's molecular formula is C₁₈H₁₄BrP and molecular weight is 341.18. What's more, it belongs to the product categories of Catalysis and Inorganic Chemistry; Phosphine Ligands; Phosphorus Compounds. This chemical is harmful if swallowed and it is irritating to respiratory system. When using it, you can't breathe dust. 

Physical properties of Phosphine,(2-bromophenyl)diphenyl- are: (1)ACD/LogP: 6.46; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6.46; (4)ACD/LogD (pH 7.4): 6.46; (5)ACD/BCF (pH 5.5): 47962.68; (6)ACD/BCF (pH 7.4): 47962.68; (7)ACD/KOC (pH 5.5): 78014.13; (8)ACD/KOC (pH 7.4): 78014.13; (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: 198.8 °C; (14)Enthalpy of Vaporization: 63.1 kJ/mol; (15)Boiling Point: 405 °C at 760 mmHg; (16)Vapour Pressure: 2.12E-06 mmHg at 25°C.

Preparation: this chemical can be prepared by diphenyl-trimethylsilanyl-phosphine and 1-bromo-2-iodo-benzene at the temperature of 70 °C. This reaction will need reagent (MeCN)₂PdCl₂ and solvent benzene with the reaction time of 100 hours. The yield is about 82%.

Uses of Phosphine,(2-bromophenyl)diphenyl-: it can be used to produce Diphenyl-(biphenylyl-(2))-phosphin at the temperature of 105 °C. It will need catalyst Pd(dba)₂ with the reaction time of 12 hours. The yield is about 79%.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3Br
(2)InChI: InChI=1S/C18H14BrP/c19-17-13-7-8-14-18(17)20(15-9-3-1-4-10-15)16-11-5-2-6-12-16/h1-14H
(3)InChIKey: XIONUQPOXCUMMB-UHFFFAOYSA-N