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Cas Database |
| Name |
2-Bromo-9,9-bis(4-methylphenyl)-9H-fluorene |
EINECS | N/A |
| CAS No. | 474918-33-7 | Density | 1.313 g/cm3 |
| PSA | 0.00000 | LogP | 7.42900 |
| Solubility | N/A | Melting Point |
182.0 to 186.0 °C |
| Formula | C27H21Br | Boiling Point | 508.307 °C at 760 mmHg |
| Molecular Weight | 425.368 | Flash Point | 250.649 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
2-Bromo-9,9-dip-tolyl-9H-fluorene; |
Article Data | 2 |
2-Bromo-9,9-bis(4-methylphenyl)-9H-fluorene Specification
The systematic name of 2-Bromo-9,9-bis(4-methylphenyl)-9H-fluorene is 2-Bromo-9,9-bis(p-tolyl)fluorene. With the CAS registry number 474918-33-7, it is also named as 2-Bromo-9,9-dip-tolyl-9H-fluorene. In addition, its molecular formula is C27H21Br and its molecular weight is 425.36.
The other characteristics of 2-Bromo-9,9-bis(4-methylphenyl)-9H-fluorene can be summarized as: (1)ACD/LogP: 9.49; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 9.492; (4)ACD/LogD (pH 7.4): 9.492; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 3472877.5; (8)ACD/KOC (pH 7.4): 3472877.5; (9)H bond acceptors: 0; (10)H bond donors: 0; (11)Freely Rotating Bonds: 2; (12)Index of Refraction: 1.663; (13)Molar Refractivity: 119.929 cm3; (14)Molar Volume: 323.867 cm3; (15)Polarizability: 47.544×10-24cm3; (16)Surface Tension: 50.582 dyne/cm; (17)Density: 1.313 g/cm3; (18)Flash Point: 250.649 °C; (19)Enthalpy of Vaporization: 74.916 kJ/mol; (20)Boiling Point: 508.307 °C at 760 mmHg; (21)Vapour Pressure: 0 mmHg at 25 °C.
People can use the following data to convert to the molecule structure.
(1)SMILES:Cc1ccc(cc1)C2(c3ccccc3-c4c2cc(cc4)Br)c5ccc(cc5)C
(2)InChI:InChI=1/C27H21Br/c1-18-7-11-20(12-8-18)27(21-13-9-19(2)10-14-21)25-6-4-3-5-23(25)24-16-15-22(28)17-26(24)27/h3-17H,1-2H3
(3)InChIKey:PUGVEXPXLSEEOS-UHFFFAOYAR
(4)Std. InChI:InChI=1S/C27H21Br/c1-18-7-11-20(12-8-18)27(21-13-9-19(2)10-14-21)25-6-4-3-5-23(25)24-16-15-22(28)17-26(24)27/h3-17H,1-2H3
(5)Std. InChIKey:PUGVEXPXLSEEOS-UHFFFAOYSA-N
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