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2-Bromo-9,9-dibutylfluorene

  • Name 2-Bromo-9,9-dibutylfluorene
  • EINECSN/A
  • CAS No. 88223-35-2
  • Density1.175 g/cm3
  • PSA0.00000
  • LogP7.09600
  • SolubilityN/A
  • Melting Point55 °C
  • FormulaC21H25Br
  • Boiling Point434.589 °C at 760 mmHg
  • Molecular Weight357.334
  • Flash Point207.715 °C
  • Transport InformationN/A
  • AppearanceN/A
  • Safety
  • Risk CodesN/A
  • Molecular Structure
    Molecular Structure of 88223-35-2 (2-Bromo-9,9-di-n-butylfluoren)
  • Hazard SymbolsN/A
  • SynonymsN/A
  • Article Data18

2-Bromo-9,9-dibutylfluorene Specification

The 9H-Fluorene, 2-bromo-9,9-dibutyl- has the CAS registry number 88223-35-2. This chemical's molecular formula is C21H25Br and molecular weight is 357.33. What's more, its systematic name is 2-bromo-9,9-dibutyl-9H-fluorene. 

Physical properties of 9H-Fluorene, 2-bromo-9,9-dibutyl- are: (1)ACD/LogP: 9.71; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 9; (4)ACD/LogD (pH 7.4): 9; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 2280564; (8)ACD/KOC (pH 7.4): 2280564; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 6; (12)Index of Refraction: 1.562; (13)Molar Refractivity: 98.576 cm3; (14)Molar Volume: 304.119 cm3; (15)Polarizability: 39.079×10-24cm3; (16)Surface Tension: 40.886 dyne/cm; (17)Density: 1.175 g/cm3; (18)Flash Point: 207.715 °C; (19)Enthalpy of Vaporization: 66.406 kJ/mol; (20)Boiling Point: 434.589 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: Brc2ccc3c1ccccc1C(CCCC)(CCCC)c3c2
(2)Std. InChI: InChI=1S/C21H25Br/c1-3-5-13-21(14-6-4-2)19-10-8-7-9-17(19)18-12-11-16(22)15-20(18)21/h7-12,15H,3-6,13-14H2,1-2H3
(3)Std. InChIKey: AVCNDQUBVOMMSL-UHFFFAOYSA-N

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