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1,3,5-Tris(3-bromophenyl)benzene

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Name

1,3,5-Tris(3-bromophenyl)benzene

EINECS 1312995-182-4
CAS No. 96761-85-2 Density 1.626 g/cm3
PSA 0.00000 LogP 8.97510
Solubility N/A Melting Point 170.0 to 174.0 °C
Formula C24H15Br3 Boiling Point 553.9 °C at 760 mmHg
Molecular Weight 543.095 Flash Point 277.1 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 96761-85-2 (1,3,5-Tris(3-bromophenyl)benzene) Hazard Symbols Xi
Synonyms

1,3,5-tri(3-bromophenyl)benzene;3,3''-Dibromo-5'-(3-bromophenyl)-1,1':3',1''-terphenyl;1,3,5-tris-(3-bromophenyl)benzene;1,3,5-Tris-(3-bromphenyl)-benzol;1,3,5-tri(m-bromophenyl)benzene;

Article Data 13

1,3,5-Tris(3-bromophenyl)benzene Specification

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

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