Product Name

  • Name

    2,4,6-Trifluorophenylboronic acid

  • EINECS -0
  • CAS No. 182482-25-3
  • Article Data3
  • CAS DataBase
  • Density 1.44 g/cm3
  • Solubility
  • Melting Point 228-235 °C(lit.)
  • Formula C6H4BF3O2
  • Boiling Point 236 °C at 760 mmHg
  • Molecular Weight 175.903
  • Flash Point 96.5 °C
  • Transport Information
  • Appearance Off-white cryst.
  • Safety 26-36
  • Risk Codes 36/37/38
  • Molecular Structure Molecular Structure of 182482-25-3 (2,4,6-Trifluorophenylboronic acid)
  • Hazard Symbols IrritantXi
  • Synonyms Boronicacid, (2,4,6-trifluorophenyl)- (9CI);(2,4,6-Trifluorophenyl)boronic acid;
  • PSA 40.46000
  • LogP -0.21630

2,4,6-Trifluorophenylboronic acid Specification

The Boronicacid, B-(2,4,6-trifluorophenyl)-, with the CAS registry number 182482-25-3, is also known as 2,4,6-Trifluorobenzeneboronic acid. It belongs to the product categories of Blocks; Boronic Acids; Fluoro Compounds; Heterocyclic Compounds; Boronic Acid; Aryl; Organoborons; Boronic Acids and Derivatives. This chemical's molecular formula is C6H4BF3O2 and molecular weight is 175.90. What's more, its systematic name is (2,4,6-trifluorophenyl)boronic acid. It should be sealed and stored in a cool, ventilated and dry place. Moreover, it should be protected from oxides.

Physical properties of Boronicacid, B-(2,4,6-trifluorophenyl)- are: (1)ACD/LogP: 1.86; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.86; (4)ACD/LogD (pH 7.4): 1.8; (5)ACD/BCF (pH 5.5): 15.16; (6)ACD/BCF (pH 7.4): 13.35; (7)ACD/KOC (pH 5.5): 243.51; (8)ACD/KOC (pH 7.4): 214.4; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 18.46 Å2; (13)Index of Refraction: 1.465; (14)Molar Refractivity: 33.62 cm3; (15)Molar Volume: 121.5 cm3; (16)Polarizability: 13.33×10-24cm3; (17)Surface Tension: 34 dyne/cm; (18)Density: 1.44 g/cm3; (19)Flash Point: 96.5 °C; (20)Enthalpy of Vaporization: 49.96 kJ/mol; (21)Boiling Point: 236 °C at 760 mmHg; (22)Vapour Pressure: 0.0267 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing.

You can still convert the following datas into molecular structure:
(1)SMILES: Fc1cc(F)cc(F)c1B(O)O
(2)Std. InChI: InChI=1S/C6H4BF3O2/c8-3-1-4(9)6(7(11)12)5(10)2-3/h1-2,11-12H
(3)Std. InChIKey: IPEIGKHHSZFAEW-UHFFFAOYSA-N

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