1-Ethynylnaphthalene - CAS 15727-65-8

Catalog:	BB011303
Product Name:	1-Ethynylnaphthalene
CAS:	15727-65-8
Synonyms:	1-ethynylnaphthalene

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Computed Properties

IUPAC Name:	1-ethynylnaphthalene
Description:	1-Ethynylnaphthalene (CAS# 15727-65-8 ) is a useful research chemical.
Molecular Weight:	152.19
Molecular Formula:	C12H8
Canonical SMILES:	C#CC1=CC=CC2=CC=CC=C21
InChI:	InChI=1S/C12H8/c1-2-10-7-5-8-11-6-3-4-9-12(10)11/h1,3-9H
InChI Key:	MCZUXEWWARACSP-UHFFFAOYSA-N
Boiling Point:	270.4 °C at 760 mmHg
Density:	1.070 g/mL at 25 °C(lit.)
Appearance:	Liquid
MDL:	MFCD02093737
LogP:	2.82110

Publication Number	Title	Priority Date
CN-113354511-A	Synthesis method of gem-1, 3-eneyne compound	20210609
CN-113372219-A	Method for preparing ethynylnaphthalene derivative by [4+2] cyclization reaction with water as solvent	20210517
CN-113149827-A	Method for synthesizing alkynoic acid by using terminal alkyne and carbon dioxide	20210419
CN-112939917-A	Preparation method of flavonoid compound	20210208
CN-112939982-A	Alkyne heterocyclic BTK inhibitor and preparation method and application thereof	20210121

PMID	Publication Date	Title	Journal
21837221	20110701	1-Benzyl-4-(naphthalen-1-yl)-1H-1,2,3-triazole	Acta crystallographica. Section E, Structure reports online
21241094	20110114	Addition of one and two units of C2H to styrene: a theoretical study of the C10H9 and C12H9 systems and implications toward growth of polycyclic aromatic hydrocarbons at low temperatures	The Journal of chemical physics
20973472	20101125	Synthesis, characterization, and modeling of naphthyl-terminated sp carbon chains: dinaphthylpolyynes	The journal of physical chemistry. B
19736952	20091001	Reactions of 1-naphthyl radicals with acetylene. Single-pulse shock tube experiments and quantum chemical calculations. Differences and similarities in the reaction with ethylene	The journal of physical chemistry. A
18937452	20081117	Design of dipicolinic acid ligands for the two-photon sensitized luminescence of europium complexes with optimized cross-sections	Inorganic chemistry

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GHS Hazard Statement:	H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
Precautionary Statement:	P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501
Signal Word:	Warning

Complexity:	195
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	152.062600255
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	0
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	152.062600255
Rotatable Bond Count:	1
Topological Polar Surface Area:	0 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.8