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5-Fluoro-2-(trifluoromethyl)phenylboronic acid

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Name

5-Fluoro-2-(trifluoromethyl)phenylboronic acid

EINECS N/A
CAS No. 928053-97-8 Density 1.44 g/cm3
PSA 40.46000 LogP 0.52430
Solubility N/A Melting Point N/A
Formula C7H5BF4O2 Boiling Point 271.4 °C at 760 mmHg
Molecular Weight 207.92 Flash Point 118 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 928053-97-8 (5-Fluoro-2-trifluoromethyl-phenylboronic acid) Hazard Symbols N/A
Synonyms

boronic acid, B-[5-fluoro-2-(trifluoromethyl)phenyl]-;5-Fluoro-2-trifluoromethylphenylboronic acid;

 

5-Fluoro-2-(trifluoromethyl)phenylboronic acid Specification

The 5-Fluoro-2-(trifluoromethyl)phenylboronic acid with the CAS number 928053-97-8 is also called boronic acid, B-[5-fluoro-2-(trifluoromethyl)phenyl]-. Its molecular formula is C7H5BF4O2. This chemical belongs to the following product categories: (1)Aryl; (2)Organoborons. It is irritant. While using this chemical, you should be very cautious.

The properties of the chemical are: (1)ACD/LogP: 2.33; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.31; (4)ACD/LogD (pH 7.4): 1.83 ; (5)#H bond acceptors: 2; (6)#H bond donors: 2; (7)#Freely Rotating Bonds: 3; (8)Polar Surface Area: 40.46Å2; (9)Index of Refraction: 1.445; (10)Molar Refractivity: 38.39 cm3; (11)Molar Volume: 144 cm3; (12)Polarizability: 15.21×10-24cm3; (13)Surface Tension: 31.3 dyne/cm; (14)Enthalpy of Vaporization: 53.84 kJ/mol; (15)Vapour Pressure: 0.00316 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: OB(O)c1cc(F)ccc1C(F)(F)F
(2)InChI: InChI=1/C7H5BF4O2/c9-4-1-2-5(7(10,11)12)6(3-4)8(13)14/h1-3,13-14H
(3)InChIKey: LBDUHXAQWUKBEB-UHFFFAOYAA

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