Product Name

  • Name

    4-Fluoropyridine-3-boronic acid

  • EINECS
  • CAS No. 860626-80-8
  • Density 1.34 g/cm3
  • Solubility
  • Melting Point
  • Formula C5H5BFNO2
  • Boiling Point 308.8 °C at 760 mmHg
  • Molecular Weight 140.91
  • Flash Point 140.6 °C
  • Transport Information
  • Appearance
  • Safety
  • Risk Codes
  • Molecular Structure Molecular Structure of 860626-80-8 (4-Fluoropyridine-3-boronic acid)
  • Hazard Symbols IrritantXi
  • Synonyms (4-fluoropyridin-3-yl)boronic acid;Boronic acid,B-(4-fluoro-3-pyridinyl)-;
  • PSA 53.35000
  • LogP -1.09950

4-Fluoropyridine-3-boronic acid Specification

The 4-Fluoropyridine-3-boronic acid, with the CAS registry number 860626-80-8, is also known as Boronic acid,B-(4-fluoro-3-pyridinyl)-. The IUPAC name of this chemical is (4-fluoropyridin-3-yl)boronic acid. In addition, the formula is C5H5BFNO2 and the molecular weight is 140.9081. It has irritant.

Physical properties about 4-Fluoropyridine-3-boronic acid are: (1)ACD/LogP: 0.15; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.01; (4)ACD/LogD (pH 7.4): -1.41; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 19.78; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 31.35 Å2; (13)Index of Refraction: 1.507; (14)Molar Refractivity: 31.19 cm3; (15)Molar Volume: 104.8 cm3; (16)Polarizability: 12.36 ×10-24cm3; (17)Surface Tension: 47 dyne/cm; (18)Density: 1.34 g/cm3; (19)Flash Point: 140.6 °C; (20)Enthalpy of Vaporization: 58.02 kJ/mol; (21)Boiling Point: 308.8 °C at 760 mmHg; (22)Vapour Pressure: 0.000287 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Fc1ccncc1B(O)O
(2)InChI: InChI=1/C5H5BFNO2/c7-5-1-2-8-3-4(5)6(9)10/h1-3,9-10H
(3)InChIKey: FJHZOURNTIVCIA-UHFFFAOYAR

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