1-Ethynylpyrene

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1-Ethynylpyrene

1-Ethynylpyrene | 34993-56-1

Catalog Number R02-0001
Category Pyrene
Molecular Formula C18H10
Molecular Weight 226.27
Catalog Number Size Price Quantity
R02-0001 -- $--

Product Introduction

Pyrene is one of the simplest polyaromatic hydrocarbons (PAHs). Pyrene derivatives are known for their ability to intercalate dsDNA. Pyrene possesses intrinsic fluorescence. When two pyrene residues are located in close proximity, excimer formation can be observed by fluorescence spectroscopy. Pyrene has been therefore used to probe structures of biomolecules.

Chemical Information

Synonyms 1-Ethynyl pyrene;1-ETHYNYLPYRENE; (1-Pyrenyl)acetylene; 1-Pyrenylacetylene
Purity NMR 1H (95%) and 13C, TLC
IUPAC Name 1-ethynylpyrene
Canonical SMILES C#CC1=C2C=CC3=CC=CC4=C3C2=C(C=C4)C=C1
InChI InChI=1S/C18H10/c1-2-12-6-7-15-9-8-13-4-3-5-14-10-11-16(12)18(15)17(13)14/h1,3-11H
InChI Key VEBUBSLYGRMOSZ-UHFFFAOYSA-N
Solubility good in chloroform, dichloromethane, toluene, low in water
Appearance light yellow solid
  • Product Specification
  • Application
Excitation 343; 326; 313; 276; 265; 242; 234
Emission 377; 397
Storage 24 months after receival at -20°C in the dark. Transportation: at room temperature for up to 3 weeks. Avoid prolonged exposure to light.
Signal Warning
GHS Hazard Statements H400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard] H410 (100%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]
Precautionary Statement Codes P273, P391, and P501 (The corresponding statement to each P-code can be found at the GHS Classification page.)

1-Ethynylpyrene, a polycyclic aromatic hydrocarbon (PAH) with exceptional properties, finds application in diverse scientific and industrial arenas. Explore key applications of 1-Ethynylpyrene, presented with heightened perplexity and burstiness:

Chemical Sensors: Embedded within chemical sensors, 1-Ethynylpyrene's robust fluorescence characteristics render it indispensable for detecting minuscule quantities of environmental contaminants or perilous substances. This enables precise monitoring of chemical landscapes, crucial for ensuring environmental safety and upholding industrial hygiene standards.

Material Science: Delving into material science, scientists scrutinize 1-Ethynylpyrene for its potential in crafting cutting-edge materials like organic semiconductors. Its stability and electronic attributes pave the way for innovative materials suitable for electronic applications such as organic light-emitting diodes (OLEDs) and field-effect transistors (FETs), driving advancements in flexible electronics and display technologies.

Photophysical Studies: Researchers leverage 1-Ethynylpyrene to explore photophysical phenomena owing to its distinct photoluminescent properties. Unraveling the energy absorption and emission dynamics of this compound aids in deciphering fundamental light-matter interactions, facilitating the design of sophisticated photonic devices like solar cells and light-harvesting systems.

Biomolecular Probes: When conjugated with biomolecules, 1-Ethynylpyrene serves as a fluorescent probe, enabling in-depth exploration of molecular interactions, cellular processes tracking, and cellular structure visualization. The high sensitivity of these probes proves pivotal in driving advancements in diagnostic and therapeutic research realms, underscoring their significance in biomedical investigations.

Computed Properties

XLogP3 5.3
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 0
Rotatable Bond Count 1
Exact Mass 226.078250319 g/mol
Monoisotopic Mass 226.078250319 g/mol
Topological Polar Surface Area 0Ų
Heavy Atom Count 18
Formal Charge 0
Complexity 373
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

Literatures

PMIDPublication DateTitleJournal
22890576 2012-09-28 Drastic enhancement of excess electron-transfer efficiency through DNA by inserting consecutive 5-phenylethynyl-2'-deoxyuridines as a modulator Chemical communications (Cambridge, England)
21888383 2011-11-07 Excited-state properties of heteroleptic iridium(III) complexes bearing aromatic hydrocarbons with extended cores Inorganic chemistry
21046088 2011-03-01 Nucleic acid-based fluorescent probes and their analytical potential Analytical and bioanalytical chemistry
21673988 2011-01-01 Increasing the analytical sensitivity by oligonucleotides modified with para- and ortho-twisted intercalating nucleic acids--TINA PloS one
20707369 2010-09-09 Ultrafast dynamics of 1-ethynylpyrene-modified RNA: a photophysical probe of intercalation The journal of physical chemistry. B

Patents

Publication NumberTitlePriority Date
CN-114635151-B Metal oxide-organic ligand composite electrode material and preparation method thereof 2022-05-20
KR-20220088328-A Adhesion promoting photoresist underlayer composition 2020-12-18
CN-110684050-A A kind of preparation method and application of vinyl-substituted osmium pentadeyne at position 7 2019-08-28
CN-110684050-B A kind of preparation method and application of vinyl-substituted osmium pentadeyne at position 7 2019-08-28
JP-2020184067-A Resist underlayer composition and pattern formation method using the composition 2019-04-30
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