8-Quinolineboronic acid

Details:

1.Introduction of 86-58-8

With its systematic name as 8-quinolinylboronic acid, its CAS registry number is
86-58-8. And it has other synonyms as 8-quinolineboronic acid, dimer;8-quinolinylboronic acid;quinoline-8-boronic acid;quinolin-8-ylboronic acid;timtec-bb sbb003824;rarechem ah pb 01278-quinolineboronic acid, dimer;8-quinolinylboronic acid;quinoline-8-boronic acid;quinolin-8-ylboronic acid;timtec-bb sbb003824;rarechem ah pb 0127. It belongs to product categories of blocks, boronicacids, heterocycles, boronic acids, boronic acid, organoborons, quinoline, quinolines, boronic acids, boronic acids and derivatives, heteroaryl, oled materials, pharm chemical, electronic chemical.

2.Properties of 86-58-8

ACD/LogP: 1.191
# of Rule of 5 Violations: 0
ACD/LogD (pH 5.5): 1.10
ACD/LogD (pH 7.4): -0.04
ACD/BCF (pH 5.5): 3.87
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 5.5): 86.60
ACD/KOC (pH 7.4): 6.20
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 3
Polar Surface Area: 53.35?²
Index of Refraction: 1.645
Molar Refractivity: 48.644 cm³
Molar Volume: 134.218 cm³
Polarizability: 19.284 10-24cm³
Surface Tension: 59.1110000610352 dyne/cm
Density: 1.289 g/cm3
Flash Point: 195.871 °C
Enthalpy of Vaporization: 68.663 kJ/mol
Boiling Point: 400.261 °C at 760 mmHg
Vapour Pressure: 0 mmHg at 25°C

3.Structure Descriptors of 86-58-8

(1)InChI: InChI=1S/C9H8BNO2/c12-10(13)8-5-1-3-7-4-2-6-11-9(7)8/h1-6,12-13H
(2)InChIKey: KXJJSKYICDAICD-UHFFFAOYSA-N
(3)Canonical SMILES : B(C1=C2C(=CC=C1)C=CC=N2)(O)O

4.Safety Information of 86-58-8

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