Dibenzothiophene-4-boronicacid CAS NO.108847-20-7

1.Introduction of 108847-20-7

Dibenzothiophene-4-boronicacid is also known as 4-dibenzothiopheneboronic acid, dibenzo[b,d]thiophene-4-boronic

1.Introduction of 108847-20-7

Dibenzothiophene-4-boronicacid is also known as 4-dibenzothiopheneboronic acid, dibenzo[b,d]thiophene-4-boronic acid, AG-D-25465, dibenzothiophen-4-ylboronic acid. And its CAS registry number is 108847-20-7. The product categories of dibenzothiophene-4-boronicacid are blocks, boronicacids, thiophene&benzothiophene, boronic acid, dibenzothiophene, organoborons, boronic acids, boronic acids and derivatives, heteroaryl, boronic acids, OLED materials, pharm chemical, electronic chemical.

2.Properties of 108847-20-7

ACD/LogP: 3.551
# of Rule of 5 Violations: 0
ACD/LogD (pH 5.5): 3.55
ACD/LogD (pH 7.4): 3.50
ACD/BCF (pH 5.5): 293.62
ACD/BCF (pH 7.4): 260.78
ACD/KOC (pH 5.5): 2031.66
ACD/KOC (pH 7.4): 1804.39
#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 108847-20-7

(1)InChI: InChI=1S/C12H9BO2S/c14-13(15)10-6-3-5-9-8-4-1-2-7-11(8)16-12(9)10/h1-7,14-15H
(2)InChIKey: GOXNHPQCCUVWRO-UHFFFAOYSA-N
(3)Canonical SMILES : B(C1=C2C(=CC=C1)C3=CC=CC=C3S2)(O)O

4.Safety Information of 108847-20-7

Hazard Codes: Xi
Risk Statements: 36/37/38
Safety Statements: 22-24/25-37/39-26
WGK Germany: 3
HazardClass: IRRITANT