Boronic acid,B-[3-fluoro-4-(trifluoromethyl)phenyl]- supplier

Name
3-FLUORO-4-TRIFLUOROMETHYL-PHENYLBORONIC ACID
EINECS
CAS No. 864759-68-2
Density 1.44 g/cm³
Solubility
Melting Point
Formula C₇H₅BF₄O₂
Boiling Point 269.8 °C at 760 mmHg
Molecular Weight 207.92
Flash Point 117 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Boronicacid, [3-fluoro-4-(trifluoromethyl)phenyl]- (9CI);3-Fluoro-4-trifluoromethylbenzeneboronic acid;
PSA 40.46000
LogP 0.52430

Boronic acid,B-[3-fluoro-4-(trifluoromethyl)phenyl]- Specification

The Boronic acid, B-[3-fluoro-4-(trifluoromethyl)phenyl]-, with the CAS registry number of 864759-68-2, is also known as 3-Fluoro-4-trifluoromethylbenzeneboronic acid. This chemical's molecular formula is C₇H₅BF₄O₂ and molecular weight is 207.9180128. What's more, its IUPAC name is [3-Fluoro-4-(trifluoromethyl)phenyl]boronic acid.

Physical properties about are: (1)ACD/LogP: 2.24; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.21; (4)ACD/LogD (pH 7.4): 1.49; (5)ACD/BCF (pH 5.5): 27.84; (6)ACD/BCF (pH 7.4): 5.25; (7)ACD/KOC (pH 5.5): 370.46; (8)ACD/KOC (pH 7.4): 69.83; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 40.46 Å²; (13)Index of Refraction: 1.445; (14)Molar Refractivity: 38.39 cm³; (15)Molar Volume: 144 cm³; (16)Polarizability: 15.21×10^-24 cm³; (17)Surface Tension: 31.3 dyne/cm; (18)Density: 1.44 g/cm³; (19)Flash Point: 117 °C; (20)Enthalpy of Vaporization: 53.66 kJ/mol; (21)Boiling Point: 269.8 °C at 760 mmHg; (22)Vapour Pressure: 0.0035 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1) SMILES: FC(F)(F)c1ccc(cc1F)B(O)O
(2) InChI: InChI=1/C7H5BF4O2/c9-6-3-4(8(13)14)1-2-5(6)7(10,11)12/h1-3,13-14H
(3) InChIKey: OPDBJTGUPJBGII-UHFFFAOYAN

Product Name

3-FLUORO-4-TRIFLUOROMETHYL-PHENYLBORONIC ACID

Boronic acid,B-[3-fluoro-4-(trifluoromethyl)phenyl]- Specification

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