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68572-87-2

Basic Information
CAS No.: 68572-87-2
Name: Boronic acid,B-9-phenanthrenyl-
Article Data: 19
Cas Database
Molecular Structure:
Molecular Structure of 68572-87-2 (Boronic acid,B-9-phenanthrenyl-)
Formula: C14H11BO2
Molecular Weight: 222.051
Synonyms: 9-Phenanthreneboronicacid (6CI);Boronic acid, 9-phenanthrenyl- (9CI);(9-Phenanthryl)boronic acid;Phenanthren-9-ylboronic acid;
EINECS: 627-783-7
Density: 1.268 g/cm3
Melting Point: 165-170 °C
Boiling Point: 479.505 °C at 760 mmHg
Flash Point: 243.796 °C
Solubility: N/A
Appearance: N/A
Hazard Symbols: IrritantXi
Risk Codes: 36/37/38
Safety: 22-24/25-26
Transport Information: N/A
PSA: 40.46000
LogP: 1.67280
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Specification

The Boronic acid,B-9-phenanthrenyl-, with the CAS registry number 68572-87-2, is also known as (9-Phenanthryl)boronic acid. It belongs to the product categories of Boron Compounds; Blocks; BoronicAcids; Electronic Chemicals; B (Classes of Boron Compounds); Boronic Acids. This chemical's molecular formula is C14H11BO2 and molecular weight is 222.05. What's more, its systematic name is phenanthren-9-ylboronic acid. The product should be sealed and stored in containers with dry inert gas which are placed in cool and dry places. Moreover, it should be protected from oxides.

Physical properties of Boronic acid,B-9-phenanthrenyl- are: (1)ACD/LogP: 3.61; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 3; (6)Polar Surface Area: 40.46 Å2; (7)Index of Refraction: 1.71; (8)Molar Refractivity: 68.403 cm3; (9)Molar Volume: 175.074 cm3; (10)Polarizability: 27.117×10-24cm3; (11)Surface Tension: 57.219 dyne/cm; (12)Density: 1.268 g/cm3; (13)Flash Point: 243.796 °C; (14)Enthalpy of Vaporization: 78.353 kJ/mol; (15)Boiling Point: 479.505 °C at 760 mmHg; (16)Vapour Pressure: 0 mmHg at 25°C.

Uses of Boronic acid,B-9-phenanthrenyl-: it can be used to produce 5-methoxy-2-phenanthren-9-yl-benzaldehyde by heating. It will need reagent CsF and solvent 1,2-dimethoxy-ethane with the reaction time of 18 hours. This reaction will also need catalyst Pd(PPh3)4. The yield is about 100%.

Boronic acid,B-9-phenanthrenyl- can be used to produce 5-methoxy-2-phenanthren-9-yl-benzaldehyde by heating

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. You should not breathe dust. When using it, you must avoid contact with eyes.

You can still convert the following datas into molecular structure:
(1)SMILES: OB(O)c2cc3c(c1c2cccc1)cccc3
(2)Std. InChI: InChI=1S/C14H11BO2/c16-15(17)14-9-10-5-1-2-6-11(10)12-7-3-4-8-13(12)14/h1-9,16-17H
(3)Std. InChIKey: JCDAUYWOHOLVMH-UHFFFAOYSA-N