1-Ethynylpyrene | 34993-56-1

Catelog Number	R02-0001
Category	Pyrene
Molecular Formula	C18H10
Molecular Weight	226.27

Catalog Number	Size	Price	Quantity
R02-0001	--	$--

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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
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.)

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	0Å²
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

PMID	Publication Date	Title	Journal
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

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