1,3,5-Tris(3-bromophenyl)benzene (96761-85-2)

This chemical is called 1,3,5-Tris(3-bromophenyl)benzene, and its IUPAC name is 1,3,5-tris(3-bromophenyl)benzene.With the CAS number of 96761-85-2, its molecular formula is C₂₄H₁₅Br₃. This chemical is usually used on making the compounds of 3,3',3''-(1,3,5-Benzoltriyl)tris(benzoesaeure) and C₄₈H₃₀. In addition, it will damage the eyes. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

Other characteristics of this chemical can be summarised as following: (1)ACD/LogP: 10.38; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): 10.38; (4)ACD/LogD (pH 7.4): 10.38; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 10000000; (8)ACD/KOC (pH 7.4): 10000000; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 0 Å²; (13)Index of Refraction: 1.659; (14)Molar Refractivity: 123.09 cm³; (15)Molar Volume: 333.8 cm³; (16)Polarizability: 48.8×10^-24cm³; (17)Surface Tension: 48 dyne/cm; (18)Density: 1.626 g/cm³; (19)Flash Point: 277.1 °C; (20)Enthalpy of Vaporization: 80.37 kJ/mol; (21)Boiling Point: 553.9 °C at 760 mmHg; (22)Vapour Pressure: 9.57E-12 mmHg at 25°C.

Production method of this chemical: Using reactant of 1-(3-bromo-phenyl)-ethanone, reagent of triethylorthoformiat and HCl, and the solvent of CHCl₃, then taking the reaction for 3 hours, the product of 1,3,5-Tris(3-bromophenyl)benzene would be made.



Uses of this chemical: With the methanol and the 1,3,5-Tris-(3-bromphenyl)-benzol, reagents of NaOMe, CuI, solvents of dimethylformamide and methanol, time for 30 hours, the product of 1,3,5-tris(3-methoxyphenyl)benzene could be made.

You can still convert the following datas into molecular structure:
1.SMILES: Brc4cc(c3cc(c1cccc(Br)c1)cc(c2cccc(Br)c2)c3)ccc4
2.InChI: InChI=1/C24H15Br3/c25-22-7-1-4-16(13-22)19-10-20(17-5-2-8-23(26)14-17)12-21(11-19)18-6-3-9-24(27)15-18/h1-15H
3.InChIKey: JKCQADHKVQXKFF-UHFFFAOYAQ
4.Std. InChI: InChI=1S/C24H15Br3/c25-22-7-1-4-16(13-22)19-10-20(17-5-2-8-23(26)14-17)12-21(11-19)18-6-3-9-24(27)15-18/h1-15H
5.Std. InChIKey: JKCQADHKVQXKFF-UHFFFAOYSA-N