2,4-Difluorophenylboronic acid

Details:

1.Introduction of 144025-03-6

With its systematic name of (2,4-difluorophenyl)boronic acid, it has CAS registry number as 144025-03-6. Its synonyms are rarechem ah pb 0168; 2,4-difluorobenzeneboronic acid; 2,4-difluorophenylboronic acid; 2,4-fluorobenzene boronic acid; akos brn-0089; 2,4-difluorophenylboric acid; 2,4-difluorophenylboroic acid; v2,4- difluorophenylboronic acid. It belongs to product categories of blocks, boronicacids, fluorocompounds, boric acid, substituted boronic acids, fluorobenzene, boronic acid, aryl, halogenated, organoborons, b (classes of boron compounds), boronic acids, boronic acids, boronic acids and derivatives.

2.Properties of 144025-03-6

ACD/LogP: 1.44
# of Rule of 5 Violations: 0
ACD/LogD (pH 5.5): 1.44
ACD/LogD (pH 7.4): 1.40
ACD/BCF (pH 5.5): 7.31
ACD/BCF (pH 7.4): 6.74
ACD/KOC (pH 5.5): 144.51
ACD/KOC (pH 7.4): 133.21
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 3
Polar Surface Area: 40.46?²
Index of Refraction: 1.486
Molar Refractivity: 33.514 cm³
Molar Volume: 116.797 cm³
Polarizability: 13.286 10-24cm³
Surface Tension: 36.1580009460449 dyne/cm
Density: 1.352 g/cm³
Flash Point: 105.623 °C
Enthalpy of Vaporization: 51.598 kJ/mol
Boiling Point: 251.035 °C at 760 mmHg
Vapour Pressure: 0.0109999999403954 mmHg at 25°C

3.Structure Descriptors of 144025-03-6

(1)InChI: InChI=1S/C6H5BF2O2/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3,10-11H
(2)InChIKey: QQLRSCZSKQTFGY-UHFFFAOYSA-N
(3)Canonical SMILES : B(C1=C(C=C(C=C1)F)F)(O)O