4-(4-Fluorophenyl)phenylboronic acid supplier

Name
4-(4-Fluorophenyl)phenylboronic acid
EINECS
CAS No. 140369-67-1
Article Data3
CAS DataBase
Density 1.257 g/cm³
Solubility
Melting Point
Formula C₁₂H₁₀BFO₂
Boiling Point 382.309 °C at 760 mmHg
Molecular Weight 216.02
Flash Point 185.014 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Boronicacid, (4'-fluoro[1,1'-biphenyl]-4-yl)- (9CI);[4-(4-Fluorophenyl)phenyl]boronicacid;
PSA 40.46000
LogP 1.17250

4-(4-Fluorophenyl)phenylboronic acid Specification

The Boronic acid,B-(4'-fluoro[1,1'-biphenyl]-4-yl)-, with the CAS registry number 140369-67-1, has the systematic name of (4'-fluorobiphenyl-4-yl)boronic acid. It belongs to the product category of API intermediates. And the molecular formula of the chemical is C₁₂H₁₀BFO₂.

The characteristics of Boronic acid,B-(4'-fluoro[1,1'-biphenyl]-4-yl)- are as followings: (1)ACD/LogP: 3.09; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3; (4)ACD/LogD (pH 7.4): 3; (5)ACD/BCF (pH 5.5): 183; (6)ACD/BCF (pH 7.4): 171; (7)ACD/KOC (pH 5.5): 1449; (8)ACD/KOC (pH 7.4): 1356; (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: 1.591; (14)Molar Refractivity: 58.107 cm³; (15)Molar Volume: 171.868 cm³; (16)Polarizability: 23.035×10^-24cm³; (17)Surface Tension: 47.463 dyne/cm; (18)Density: 1.257 g/cm³; (19)Flash Point: 185.014 °C; (20)Enthalpy of Vaporization: 66.528 kJ/mol; (21)Boiling Point: 382.309 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Fc1ccc(cc1)c2ccc(cc2)B(O)O
(2)InChI: InChI=1/C12H10BFO2/c14-12-7-3-10(4-8-12)9-1-5-11(6-2-9)13(15)16/h1-8,15-16H
(3)InChIKey: KHMFYFVXTICBEL-UHFFFAOYAN

Product Name

4-(4-Fluorophenyl)phenylboronic acid

4-(4-Fluorophenyl)phenylboronic acid Specification

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