Product Name

  • Name

    (5-bromo-2-(trifluoromethoxy)phenyl)methanol

  • EINECS
  • CAS No. 685126-86-7
  • Density 1.696 g/cm3
  • Solubility
  • Melting Point
  • Formula C8H6BrF3O2
  • Boiling Point 255.708 °C at 760 mmHg
  • Molecular Weight 271.034
  • Flash Point 108.449 °C
  • Transport Information
  • Appearance
  • Safety
  • Risk Codes
  • Molecular Structure Molecular Structure of 685126-86-7 ((5-bromo-2-(trifluoromethoxy)phenyl)methanol)
  • Hazard Symbols
  • Synonyms [5-bromo-2-(trifluoromethoxy)phenyl]methanol;
  • PSA 29.46000
  • LogP 2.84000

Benzenemethanol, 5-bromo-2-(trifluoromethoxy)- Specification

The Benzenemethanol, 5-bromo-2-(trifluoromethoxy)- is an organic compound with the formula C8H6BrF3O2. The IUPAC name of this chemical is [5-bromo-2-(trifluoromethoxy)phenyl]methanol and the CAS registry number is 685126-86-7. In addition, the molecular weight is 271.03.

The other characteristics of Benzenemethanol, 5-bromo-2-(trifluoromethoxy)- can be summarized as: (1)ACD/LogP: 3.05; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.051; (4)ACD/LogD (pH 7.4): 3.051; (5)ACD/BCF (pH 5.5): 122.696; (6)ACD/BCF (pH 7.4): 122.696; (7)ACD/KOC (pH 5.5): 1088.414; (8)ACD/KOC (pH 7.4): 1088.413; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 29.46 Å2; (13)Index of Refraction: 1.507; (14)Molar Refractivity: 47.53 cm3; (15)Molar Volume: 159.828 cm3; (16)Polarizability: 18.842×10-24 cm3; (17)Surface Tension: 36.037 dyne/cm; (18)Density: 1.696 g/cm3; (19)Flash Point: 108.449 °C; (20)Enthalpy of Vaporization: 52.109 kJ/mol; (21)Boiling Point: 255.708 °C at 760 mmHg; (22)Vapour Pressure: 0.008 mmHg at 25°C.

People can use the following data to convert to the molecule structure. 
1. SMILES:c1cc(c(cc1Br)CO)OC(F)(F)F
2. InChI:InChI=1/C8H6BrF3O2/c9-6-1-2-7(5(3-6)4-13)14-8(10,11)12/h1-3,13H,4H2
3. InChIKey:PMJMORZJWISOPJ-UHFFFAOYAK
4. Std. InChI:InChI=1S/C8H6BrF3O2/c9-6-1-2-7(5(3-6)4-13)14-8(10,11)12/h1-3,13H,4H2 
5. Std. InChIKey:PMJMORZJWISOPJ-UHFFFAOYSA-N

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