4-(9H-Carbozol-9-yl)phenylboronic acid supplier

Name
4-(9H-Carbozol-9-yl)phenylboronic acid
EINECS 808-009-9
CAS No. 419536-33-7
Article Data52
CAS DataBase
Density 1.2 g/cm³
Solubility
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
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Boronic acid, B-[4-(9H-carbazol-9-yl)phenyl]-;4-(9H-9-carbozale)phenylboronic acid;
PSA 45.39000
LogP 2.46350

4-(9H-Carbozol-9-yl)phenylboronic acid Specification

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

Product Name

4-(9H-Carbozol-9-yl)phenylboronic acid

4-(9H-Carbozol-9-yl)phenylboronic acid Specification

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