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
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) |
