Boronic acid, B-2-dibenzothienyl- CAS NO.668983-97-9

1.Introduction of 668983-97-9

Boronic acid, B-2-dibenzothienyl- has its CAS regsitry number of 668983-97-9. Its synonyms are dibenzo[b,d]thie

1.Introduction of 668983-97-9

Boronic acid, B-2-dibenzothienyl- has its CAS regsitry number of 668983-97-9. Its synonyms are dibenzo[b,d]thien-2-ylboronic acid; dibenzo[b,d]thiophen-2-ylboronic acid; dibenzothiophene-2-boronic acid; chembrdg-bb 3200967; iflab-bb f1371-0134; dibenzo[b,d]thien-2-ylboronic acid(saltdata: free); dibenzothiophene-2-boronic. Our product is a kind of white powder with purity of 98.0% in the market.

2.Properties of 668983-97-9

ACD/LogP: 3.751
# of Rule of 5 Violations: 0
ACD/LogD (pH 5.5): 3.75
ACD/LogD (pH 7.4): 3.71
ACD/BCF (pH 5.5): 417.06
ACD/BCF (pH 7.4): 379.08
ACD/KOC (pH 5.5): 2612.06
ACD/KOC (pH 7.4): 2374.17
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 3
Polar Surface Area: 68.7?²
Index of Refraction: 1.739
Molar Refractivity: 66.544 cm³
Molar Volume: 165.193 cm³
Polarizability: 26.38 10-24cm³
Surface Tension: 63.5320014953613 dyne/cm
Density: 1.381 g/cm³
Flash Point: 244.201 °C
Enthalpy of Vaporization: 78.436 kJ/mol
Boiling Point: 480.174 °C at 760 mmHg
Vapour Pressure: 0 mmHg at 25°C

3.Structure Descriptors of 668983-97-9

(1)InChI: InChI=1S/C12H9BO2S/c14-13(15)8-5-6-12-10(7-8)9-3-1-2-4-11(9)16-12/h1-7,14-15H
(2)InChIKey: CSLSCVHILGCSTE-UHFFFAOYSA-N
(3)Canonical SMILES :OB(O)c2cc1c3ccccc3sc1cc2