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5-Bromo-2-fluorophenylboronic acid

  • Name 5-Bromo-2-fluorophenylboronic acid
  • EINECSN/A
  • CAS No. 112204-57-6
  • Density1.75 g/cm3
  • PSA40.46000
  • LogP0.26800
  • SolubilityN/A
  • Melting Point144-149 °C
  • FormulaC6H5BBrFO2
  • Boiling Point324.831 °C at 760 mmHg
  • Molecular Weight218.818
  • Flash Point150.252 °C
  • Transport InformationN/A
  • Appearanceoff-white solid
  • Safety
  • Risk Codes Xi:Irritant/Keep Cold;
  • Molecular Structure
    Molecular Structure of 112204-57-6 (5-BROMO-2-FLUOROBENZENEBORONIC ACID 98)
  • Hazard SymbolsIrritantXi
  • SynonymsIrritantXi
  • Article Data5

5-Bromo-2-fluorophenylboronic acid Specification

The 5-Bromo-2-fluorophenylboronic acid, with the CAS registry number 112204-57-6, is also known as Boronic acid, b-(5-bromo-2-fluorophenyl)-. It belongs to the product categories of Blocks; BoronicAcids; Aryl; Boronic Acids; Boronic Acids and Derivatives. This chemical's molecular formula is C6H5BBrFO2 and molecular weight is 218.82. What's more, its systematic name is called (5-Bromo-2-fluorophenyl)boronic acid.

Physical properties about 5-Bromo-2-fluorophenylboronic acid are: (1) ACD/LogP: 2.10; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 5.5): 2; (4) ACD/LogD (pH 7.4): 2; (5) ACD/BCF (pH 5.5): 35; (6) ACD/BCF (pH 7.4): 17; (7) ACD/KOC (pH 5.5): 444; (8) ACD/KOC (pH 7.4): 212; (9) #H bond acceptors: 2; (10) #H bond donors: 2; (11) #Freely Rotating Bonds: 3; (12) Polar Surface Area: 40.46 Å2; (13) Index of Refraction: 1.572; (14) Molar Refractivity: 41.122 cm3; (15) Molar Volume: 125.039 cm3; (16) Surface Tension: 48.584 dyne/cm; (17) Density: 1.75 g/cm3; (18) Flash Point: 150.252 °C; (19) Enthalpy of Vaporization: 59.844 kJ/mol; (20) Boiling Point: 324.831 °C at 760 mmHg; (21) Vapour Pressure: 0 mmHg at 25 °C; (22) Melting Point: 144-149 °C.

When you are dealing with this chemical, you should be very careful. This chemical is irritating and may cause inflammation to the skin or other mucous membranes. Therefore, you should be cautious about it.

You can still convert the following datas into molecular structure:
(1) SMILES: Brc1ccc(F)c(B(O)O)c1
(2) InChI: InChI=1/C6H5BBrFO2/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3,10-11H
(3) InChIKey: IGBDPRKNAFOOGY-UHFFFAOYAD

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