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| CAS No.: | 928053-97-8 |
|---|---|
| Name: | 5-Fluoro-2-trifluoromethyl-phenylboronic acid |
| Molecular Structure: | |
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| Formula: | C7H5BF4O2 |
| Molecular Weight: | 207.92 |
| Synonyms: | boronic acid, B-[5-fluoro-2-(trifluoromethyl)phenyl]-;5-Fluoro-2-trifluoromethylphenylboronic acid; |
| Density: | 1.44 g/cm3 |
| Boiling Point: | 271.4 °C at 760 mmHg |
| Flash Point: | 118 °C |
| PSA: | 40.46000 |
| LogP: | 0.52430 |
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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