1-Pyreneboronic Acid

Product Information

Molecular Formula:
C16H11O2B
Molecular Weight:
246.07
Description
1-Pyreneboronic Acid (CAS# 164461-18-1) is a useful research chemical.
Synonyms
1-pyrenylboronic acid; pyren-1-ylboronic acid
IUPAC Name
pyren-1-ylboronic acid
Canonical SMILES
B(C1=C2C=CC3=CC=CC4=C3C2=C(C=C1)C=C4)(O)O
InChI
InChI=1S/C16H11BO2/c18-17(19)14-9-7-12-5-4-10-2-1-3-11-6-8-13(14)16(12)15(10)11/h1-9,18-19H
InChI Key
MWEKPLLMFXIZOC-UHFFFAOYSA-N
Boiling Point
565.5 ± 33.0 °C (predicted)
Melting Point
247-251 °C
Flash Point
Not applicable
Purity
99 %
Density
1.3 g/cm3
Appearance
Pale yellow powder
LogP
2.26380

Safety Information

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
2
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
1
Exact Mass
246.0852098 g/mol
Monoisotopic Mass
246.0852098 g/mol
Topological Polar Surface Area
40.5Ų
Heavy Atom Count
19
Formal Charge
0
Complexity
346
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
Compound Is Canonicalized
Yes

Patents

Publication Number Title Priority Date
CN-113999256-A Boron-containing organic compound and light-emitting device 2021-11-26
CN-114058045-A Organic room temperature phosphorescent thin film material with hydrothermal stimulus response and excitation dependence, preparation and application 2021-09-13
CN-113527066-A Chiral spiro compound and preparation method and application thereof 2021-06-10
CN-113149807-A Triplet annihilator and preparation method and application thereof 2021-05-14
CN-113004194-A Circular polarization luminescent organic micro-nano crystal material and preparation method and application thereof 2021-03-09
WO-2022054335-A1 Photocatalyst complex 2020-09-11
JP-2022038301-A Solid composition and its production method 2020-08-26
WO-2022044422-A1 Solid composition and method for producing same 2020-08-26
CN-111909103-A Novel quinoxaline luminescent material and preparation method and application thereof 2020-07-30
KR-20220014823-A Novel Heterocyclic compounds and Organic light emitting diode including the same 2020-07-29

Literatures

PMID Publication Date Title Journal
22580421 2012-07-01 Determination of glyoxylic acid in urine by liquid chromatography with fluorescence detection, using a novel derivatization procedure based on the Petasis reaction Analytical and bioanalytical chemistry
22412328 2009-01-01 Metal Ion Enhanced Charge Transfer in a Terpyridine-bis-Pyrene System Sensors (Basel, Switzerland)
The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

The dilution calculator equation

Concentration (start) × Volume (start) = Concentration (final) × Volume (final)

This equation is commonly abbreviated as: C1V1 = C2V2

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