4-Hydroxy-2-(trifluoromethyl)phenylboronic acid supplier

Name
4-Hydroxy-2-(trifluoromethyl)phenylboronic acid
EINECS
CAS No. 943918-05-6
Density 1.509 g/cm³
Solubility
Melting Point
Formula C₇H₆BF₃O₃
Boiling Point 354.45 °C at 760 mmHg
Molecular Weight 205.929
Flash Point 168.166 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms [4-Hydroxy-2-(trifluoromethyl)phenyl]boronic acid;
PSA 60.69000
LogP 0.09080

4-Hydroxy-2-(trifluoromethyl)phenylboronic acid Specification

The CAS registry number of 4-Hydroxy-2-(trifluoromethyl)phenylboronic acid is 943918-05-6. It belongs to the product categories of API Intermediates; Boronic Acid. This chemical's molecular formula is C₇H₆BF₃O₃ and molecular weight is 205.93. What's more, its IUPAC name is the same with its product name.

Physical properties about 4-Hydroxy-2-(trifluoromethyl)phenylboronic acid are: (1)ACD/LogP: 2.01; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.009; (4)ACD/LogD (pH 7.4): 1.952; (5)ACD/BCF (pH 5.5): 19.805; (6)ACD/BCF (pH 7.4): 17.364; (7)ACD/KOC (pH 5.5): 294.869; (8)ACD/KOC (pH 7.4): 258.53; (9)#H bond acceptors: 3; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 60.69 Å²; (13)Index of Refraction: 1.495; (14)Molar Refractivity: 39.807 cm³; (15)Molar Volume: 136.453 cm³; (16)Surface Tension: 42.753 dyne/cm; (17)Density: 1.509 g/cm³; (18)Flash Point: 168.166 °C; (19)Enthalpy of Vaporization: 63.26 kJ/mol; (20)Boiling Point: 354.45 °C at 760 mmHg; (21)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: B(c1ccc(cc1C(F)(F)F)O)(O)O
(2) InChI: InChI=1S/C7H6BF3O3/c9-7(10,11)5-3-4(12)1-2-6(5)8(13)14/h1-3,12-14H
(3) InChIKey: MHKOVSRFDDLIFU-UHFFFAOYSA-N

Product Name

4-Hydroxy-2-(trifluoromethyl)phenylboronic acid

4-Hydroxy-2-(trifluoromethyl)phenylboronic acid Specification

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