The 1,3,5-Tris(4-bromophenyl)benzene, with the CAS registry number 7511-49-1, belongs to the following product categories: Organic Electronics and Photonics; Synthetic Intermediates; Synthetic Tools and Reagents. And the molecular formula of the chemical is C24H15Br3.
The characteristics of this chemical are as followings: (1)ACD/LogP: 9.33; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): 9.332; (4)ACD/LogD (pH 7.4): 9.332; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 2841324; (8)ACD/KOC (pH 7.4): 2841324; (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: 123.099 cm3; (15)Molar Volume: 333.842 cm3; (16)Polarizability: 48.8×10-24cm3; (17)Surface Tension: 48.025 dyne/cm; (18)Density: 1.627 g/cm3; (19)Flash Point: 289.061 °C; (20)Enthalpy of Vaporization: 82.931 kJ/mol; (21)Boiling Point: 574.934 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.
You should be very cautious while dealing with this chemical. It has risk of serious damage to eyes, so if in case of contact 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: c1cc(ccc1c2cc(cc(c2)c3ccc(cc3)Br)c4ccc(cc4)Br)Br
(2)InChI: InChI=1/C24H15Br3/c25-22-7-1-16(2-8-22)19-13-20(17-3-9-23(26)10-4-17)15-21(14-19)18-5-11-24(27)12-6-18/h1-15H
(3)InChIKey: HJQRITCAXSBOPC-UHFFFAOYAA
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