Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
4-(9H-Carbozol-9-yl)phenylboronic acid |
EINECS | 808-009-9 |
CAS No. | 419536-33-7 | Density | 1.2 g/cm3 |
PSA | 45.39000 | LogP | 2.46350 |
Solubility | N/A | Melting Point |
264°C(lit.) |
Formula | C18H14BNO2 | Boiling Point | 452.7 °C at 760 mmHg |
Molecular Weight | 287.126 | Flash Point | 227.6 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Boronic acid, B-[4-(9H-carbazol-9-yl)phenyl]-;4-(9H-9-carbozale)phenylboronic acid; |
Article Data | 52 |
The 4-(9H-Carbozol-9-yl)phenylboronic acid, with the CAS registry number 419536-33-7, is also known as Boronic acid, B-[4-(9H-carbazol-9-yl)phenyl]-. This chemical's molecular formula is C18H14BNO2 and molecular weight is 287.12. Its IUPAC name is called (4-carbazol-9-ylphenyl)boronic acid.
Physical properties of 4-(9H-Carbozol-9-yl)phenylboronic acid: (1)ACD/LogP: 5.57; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.57; (4)ACD/LogD (pH 7.4): 5.5; (5)ACD/BCF (pH 5.5): 10013.69; (6)ACD/BCF (pH 7.4): 8504.74; (7)ACD/KOC (pH 5.5): 25405.95; (8)ACD/KOC (pH 7.4): 21577.57; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Index of Refraction: 1.638; (13)Molar Refractivity: 85.79 cm3; (14)Molar Volume: 238.6 cm3; (15)Surface Tension: 47.9 dyne/cm; (16)Density: 1.2 g/cm3; (17)Flash Point: 227.6 °C; (18)Enthalpy of Vaporization: 75.02 kJ/mol; (19)Boiling Point: 452.7 °C at 760 mmHg; (20)Vapour Pressure: 5.53E-09 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: B(C1=CC=C(C=C1)N2C3=CC=CC=C3C4=CC=CC=C42)(O)O
(2)InChI: InChI=1S/C18H14BNO2/c21-19(22)13-9-11-14(12-10-13)20-17-7-3-1-5-15(17)16-6-2-4-8-18(16)20/h1-12,21-22H
(3)InChIKey: JGAVTCVHDMOQTJ-UHFFFAOYSA-N