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4-Bromo-2-isopropylphenol

  • Name 4-Bromo-2-isopropylphenol
  • EINECSN/A
  • CAS No. 26307-50-6
  • Density1.396 g/cm3
  • PSA20.23000
  • LogP3.27810
  • SolubilityN/A
  • Melting Point48-49 °C(Solv: heptane (142-82-5))
  • FormulaC9H11BrO
  • Boiling Point260.156 °C at 760 mmHg
  • Molecular Weight215.09
  • Flash Point111.139 °C
  • Transport InformationN/A
  • AppearanceN/A
  • Safety
  • Risk CodesN/A
  • Molecular Structure
    Molecular Structure of 26307-50-6 (4-Bromo-2-isopropylphenol)
  • Hazard SymbolsN/A
  • SynonymsN/A
  • Article Data35

4-Bromo-2-isopropylphenol Specification

The 4-Bromo-2-isopropylphenol, with the CAS registry number 26307-50-6, is also known as Phenol, 4-bromo-2-isopropyl- (6CI,8CI). This chemical's molecular formula is C9H11BrO and molecular weight is 215.09. What's more, its systematic name is 4,4'-(1,2-Ethynediyl)diphenol.

Physical properties of 4-Bromo-2-isopropylphenol are: (1)ACD/LogP: 4.549; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.55; (4)ACD/LogD (pH 7.4): 4.55; (5)ACD/BCF (pH 5.5): 1687.49; (6)ACD/BCF (pH 7.4): 1682.39; (7)ACD/KOC (pH 5.5): 7106.43; (8)ACD/KOC (pH 7.4): 7084.96; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 20.23 Å2; (13)Index of Refraction: 1.562; (14)Molar Refractivity: 50.01 cm3; (15)Molar Volume: 154.12 cm3; (16)Polarizability: 19.825×10-24cm3; (17)Surface Tension: 40.1 dyne/cm; (18)Density: 1.396 g/cm3; (19)Flash Point: 111.139 °C; (20)Enthalpy of Vaporization: 51.793 kJ/mol; (21)Boiling Point: 260.156 °C at 760 mmHg; (22)Vapour Pressure: 0.008 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Oc1ccc(Br)cc1C(C)C
(2)Std. InChI: InChI=1S/C9H11BrO/c1-6(2)8-5-7(10)3-4-9(8)11/h3-6,11H,1-2H3
(3)Std. InChIKey: IRIAFTMIYRJHNZ-UHFFFAOYSA-N 

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