4'-(Trifluoromethyl)-4-biphenylboronic acid supplier

Name
4'-(TRIFLUOROMETHYL)-4-BIPHENYLBORONIC ACID
EINECS
CAS No. 364590-93-2
Article Data3
CAS DataBase
Density 1.338g/cm³
Solubility
Melting Point
Formula C₁₃ H₁₀ B F₃ O₂
Boiling Point 373.117 °C at 760 mmHg
Molecular Weight 266.027
Flash Point 179.455 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms [4-(4-Trifluoromethylphenyl)phenyl]boronicacid;AKOS BRN-1044;
PSA 40.46000
LogP 2.05220

4'-(Trifluoromethyl)-4-biphenylboronic acid Specification

The 4'-(Trifluoromethyl)-4-biphenylboronic acid with cas registry number of 364590-93-2, is also called [4-(4-Trifluoromethylphenyl)phenyl]boronicacid ; AKOS BRN-1044 .

Physical properties of 4'-(Trifluoromethyl)-4-biphenylboronic acid :(1)ACD/LogP: 3.06; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4; (4)ACD/LogD (pH 7.4): 4; (5)ACD/BCF (pH 5.5): 1122; (6)ACD/BCF (pH 7.4): 1035; (7)ACD/KOC (pH 5.5): 5305; (8)ACD/KOC (pH 7.4): 4893; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 40.46 Å²; (13)Index of Refraction: 1.547; (14)Molar Refractivity: 62.985 cm³; (15)Molar Volume: 198.755 cm³; (16)Polarizability: 24.969×10^-24cm³; (17)Surface Tension: 41.926 dyne/cm; (18)Enthalpy of Vaporization: 65.444 kJ/mol; (19)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure: (1)SMILES:FC(F)(F)c1ccc(cc1)c2ccc(cc2)B(O)O; (2)InChI:InChI=1/C13H10BF3O2/c15-13(16,17)11-5-1-9(2-6-11)10-3-7-12(8-4-10)14(18)19/h1-8,18-19H; (3)InChIKey:VXRWBTTXNCRCPS-UHFFFAOYAJ; (4)Std. InChI:InChI=1S/C13H10BF3O2/c15-13(16,17)11-5-1-9(2-6-11)10-3-7-12(8-4-10)14(18)19/h1-8,18-19H; (5)Std. InChIKey:VXRWBTTXNCRCPS-UHFFFAOYSA-N.

Product Name

4'-(TRIFLUOROMETHYL)-4-BIPHENYLBORONIC ACID

4'-(Trifluoromethyl)-4-biphenylboronic acid Specification

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