2,7-Dibromo-9,9-dimethylfluorene

Details:

1. Introduction of 2,7-Dibromo-9,9-dimethylfluorene
2,7-dibromo-9,9-dimethyl-9H-fluorene, with the CAS registry number 28320-32-3, is also named as 9H-Fluorene,2,7-dibromo-9,9-dimethyl-. 2,7-dibromo-9,9-dimethyl-9H-fluorene is off-white powder or crystal. The product's categories are Fluorene Derivatives; Electronic Chemicals. The molecular weight of 2,7-Dibromo-9,9-dimethylfluorene is C₁₅H₁₂Br₂ and molecular weight is 352.06. 

2. Properties of 2,7-Dibromo-9,9-dimethylfluorene
(1)ACD/LogP: 8.06; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 7; (4)ACD/LogD (pH 7.4): 7; (5)ACD/BCF (pH 5.5): 78047; (6)ACD/BCF (pH 7.4): 78047; (7)ACD/KOC (pH 5.5): 110542; (8)ACD/KOC (pH 7.4): 110542; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 0 Å2; (13)Index of Refraction: 1.635; (14)Molar Refractivity: 78.497 cm³; (15)Molar Volume: 219.117 cm³; (16)Polarizability: 31.119×10-24 cm3; (17)Surface Tension: 46.054 dyne/cm; (18)Density: 1.607 g/cm3; (19)Flash Point: 230.294 °C; (20)Enthalpy of Vaporization: 62.744 kJ/mol; (21)Boiling Point: 401.811 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

3. Structure Descriptors of 2,7-Dibromo-9,9-dimethylfluorene
1. SMILES:Brc2ccc3c1ccc(Br)cc1C(C)(C)c3c2
2. InChI:InChI=1/C15H12Br2/c1-15(2)13-7-9(16)3-5-11(13)12-6-4-10(17)8-14(12)15/h3-8H,1-2H3
3. InChIKey:LONBOJIXBFUBKQ-UHFFFAOYAJ
4. Std. InChI:InChI=1S/C15H12Br2/c1-15(2)13-7-9(16)3-5-11(13)12-6-4-10(17)8-14(12)15/h3-8H,1-2H3
5. Std. InChIKey:LONBOJIXBFUBKQ-UHFFFAOYSA-N