Product Name

  • Name

    1-BROMO-2-(1,1,2,2-TETRAFLUOROETHOXY)BENZENE

  • EINECS
  • CAS No. 83015-28-5
  • Article Data9
  • CAS DataBase
  • Density 1.621 g/cm3
  • Solubility
  • Melting Point
  • Formula C8H5BrF4O
  • Boiling Point 211.1 °C at 760 mmHg
  • Molecular Weight 273.025
  • Flash Point 100.2 °C
  • Transport Information
  • Appearance
  • Safety
  • Risk Codes  Xi:;
  • Molecular Structure Molecular Structure of 83015-28-5 (1-BROMO-2-(1,1,2,2-TETRAFLUOROETHOXY)BENZENE)
  • Hazard Symbols IrritantXi
  • Synonyms 2,8-Bis(trifluoromethyl)-4-chloroquinoline;
  • PSA 9.23000
  • LogP 3.64590

Benzene,(2-bromo-1,1,2,2-tetrafluoroethoxy)- Specification

The Benzene,(2-bromo-1,1,2,2-tetrafluoroethoxy)-, with the CAS registry number 83015-28-5, is also known as 2,8-Bis(trifluoromethyl)-4-chloroquinoline. This chemical's molecular formula is C8H5BrF4O and molecular weight is 273.02. What's more, its systematic name is called 1-Bromo-2-(1,1,2,2-tetrafluoroethoxy)benzene. When you are dealing with this chemical, you should be very careful. This chemical may cause inflammation to the skin or other mucous membranes.

Physical properties about Benzene,(2-bromo-1,1,2,2-tetrafluoroethoxy)- are: (1) ACD/LogP: 3.97; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 5.5): 3.97; (4) ACD/LogD (pH 7.4): 3.97; (5) ACD/BCF (pH 5.5): 610.44; (6) ACD/BCF (pH 7.4): 610.44; (7) ACD/KOC (pH 5.5): 3432.14; (8) ACD/KOC (pH 7.4): 3432.14; (9) #H bond acceptors: 1; (10) #H bond donors: 0; (11) #Freely Rotating Bonds: 3; (12) Polar Surface Area: 9.23 Å2; (13) Index of Refraction: 1.456; (14) Molar Refractivity: 45.83 cm3; (15) Molar Volume: 168.3 cm3; (16) Surface Tension: 27.2 dyne/cm; (17) Density: 1.621 g/cm3; (18)Flash Point: 100.2 °C; (19) Enthalpy of Vaporization: 42.91 kJ/mol; (20) Boiling Point: 211.1 °C at 760 mmHg; (21) Vapour Pressure: 0.27 mmHg at 25 °C.

Preparation of Benzene,(2-bromo-1,1,2,2-tetrafluoroethoxy)-: this chemical can be prepared by Phenol; potassium salt with 1,2-Dibromo-1,1,2,2-tetrafluoro-ethane.

The reaction occurs with reagent Hexamethylphosphoric acid triamide at ambient temperature for 6 hours. The yield is 2 %.

You can still convert the following datas into molecular structure:
(1) SMILES: Brc1ccccc1OC(F)(F)C(F)F
(2) InChI: InChI=1/C8H5BrF4O/c9-5-3-1-2-4-6(5)14-8(12,13)7(10)11/h1-4,7H
(3) InChIKey: QBGSEHUUSPUFTH-UHFFFAOYAP

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