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CAS No.: | 105309-59-9 |
---|---|
Name: | Tetrakis(p-broMophenyl)Methane |
Article Data: | 51 |
Molecular Structure: | |
Formula: | C25H16Br4 |
Molecular Weight: | 636.018 |
Synonyms: | Tetra(4-bromophenyl)methane;Tetrakis(4-bromophenyl)methane;Tetrakis(p-bromophenyl)methane;1,1',1'',1'''-Methanetetrayltetrakis(4-bromobenzene);Benzene, 1,1',1'',1'''-methanetetrayltetrakis[4-bromo-; |
Density: | 1.763 g/cm3 |
Melting Point: | 312.5-313℃ (chloroform ethanol ) |
Boiling Point: | 603.8 °C at 760 mmHg |
Flash Point: | 305.4 °C |
PSA: | 0.00000 |
LogP: | 9.11930 |
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The 4,4',4'',4'''-Tetrabromotetraphenylmethane, with the CAS registry number 105309-59-9, is also known as Tetrakis(4-bromophenyl)methane. This chemical's molecular formula is C25H16Br4 and molecular weight is 636.01. What's more, its systematic name is 1,1',1'',1'''-methanetetrayltetrakis(4-bromobenzene).
Physical properties of 4,4',4'',4'''-Tetrabromotetraphenylmethane are: (1)ACD/LogP: 10.40; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): 10.4; (4)ACD/LogD (pH 7.4): 10.4; (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: 4; (12)Index of Refraction: 1.669; (13)Molar Refractivity: 134.69 cm3; (14)Molar Volume: 360.6 cm3; (15)Polarizability: 53.39×10-24cm3; (16)Surface Tension: 50.3 dyne/cm; (17)Density: 1.763 g/cm3; (18)Flash Point: 305.4 °C; (19)Enthalpy of Vaporization: 86.5 kJ/mol; (20)Boiling Point: 603.8 °C at 760 mmHg; (21)Vapour Pressure: 6.88E-14 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Brc1ccc(cc1)C(c2ccc(Br)cc2)(c3ccc(Br)cc3)c4ccc(Br)cc4
(2)Std. InChI: InChI=1S/C25H16Br4/c26-21-9-1-17(2-10-21)25(18-3-11-22(27)12-4-18,19-5-13-23(28)14-6-19)20-7-15-24(29)16-8-20/h1-16H
(3)Std. InChIKey: YBGIIZGNEOJSRF-UHFFFAOYSA-N