9-Phenanthreneboronic Acid

Inquiry

Molecular Formula:

C14H11O2B

Molecular Weight:

222.05

CAS Number:

68572-87-2

Catalog Number:

68572-87-2

Product Information

Molecular Formula:

C14H11O2B

Molecular Weight:

222.05

Description

Reactant involved in the synthesis of: Large polycyclic aromatic hydrocarbons (PAHs); Electron rich benzo[g,h,i]perylenes; FLAP protein inhibitors as antiinflammatory agents; Aminoisoquinolinones as PARP-2 selective inhibitorsReactant involved in homocoupling reactions May contain varying amounts of anhydride.

Synonyms

9-phenanthrenylboronic acid; phenanthren-9-ylboronic acid

IUPAC Name

phenanthren-9-ylboronic acid

Canonical SMILES

B(C1=CC2=CC=CC=C2C3=CC=CC=C13)(O)O

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

InChI Key

JCDAUYWOHOLVMH-UHFFFAOYSA-N

Boiling Point

479.505 °C at 760 mmHg

Melting Point

165-170 °C

Flash Point

Not applicable

Purity

98 %

Density

1.268 g/cm³

Appearance

White to beige powder or crystalline powder

LogP

1.67280

Safety Information

Hazards

H315 - H319 - H335

Precautionary Statement

P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501

Signal Word

Warning

Computed Properties

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

222.0852098 g/mol

Monoisotopic Mass

222.0852098 g/mol

Topological Polar Surface Area

40.5Å²

Heavy Atom Count

Formal Charge

Complexity

269

Isotope Atom Count

Defined Atom Stereocenter Count

Undefined Atom Stereocenter Count

Defined Bond Stereocenter Count

Undefined Bond Stereocenter Count

Covalently-Bonded Unit Count

Compound Is Canonicalized

Yes

Patents

Publication Number	Title	Priority Date
CN-114057718-A	Triphenylamine derivative, preparation, organic photoelectric device and display or lighting device	2022-01-17
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CN-113816898-A	Compound, electron transport material, organic electroluminescent device and display device	2021-03-29
CN-112961140-A	Naphthoquinone heterocyclic compound and application thereof	2021-02-08
CN-112920221-A	Chiral phosphoric acid with spiro-bis-dihydrobenzothiole skeleton and preparation method and application thereof	2021-01-26
CN-112625042-A	Organic electroluminescent material and application thereof	2020-12-28
CN-112661761-A	Organic photoelectric material containing phenazine imidazole structure and application thereof	2020-12-23
CN-112645791-A	Novel OLED material and preparation method and application thereof	2020-12-22

Literatures

PMID	Publication Date	Title	Journal
4624	1976-03-18	Regulation of cell volume and ion concentrations in a Halobacterium	The Journal of membrane biology

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