4-Ethynylanisole - CAS 768-60-5

Catalog:	BB035724
Product Name:	4-Ethynylanisole
CAS:	768-60-5
Synonyms:	1-ethynyl-4-methoxybenzene

Technical Data

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Computed Properties

IUPAC Name:	1-ethynyl-4-methoxybenzene
Description:	4-Ethynylanisole (CAS# 768-60-5) is a useful research chemical.
Molecular Weight:	132.16
Molecular Formula:	C9H8O
Canonical SMILES:	COC1=CC=C(C=C1)C#C
InChI:	InChI=1S/C9H8O/c1-3-8-4-6-9(10-2)7-5-8/h1,4-7H,2H3
InChI Key:	KBIAVTUACPKPFJ-UHFFFAOYSA-N
Boiling Point:	86 °C / 10 mmHg
Melting Point:	26 °C
Purity:	> 98.0 % (GC)
Density:	1.019 g/cm³
Appearance:	White to orange to green powder to lump
Storage:	Store under inert gas, 0-10 °C
MDL:	MFCD00168815
LogP:	1.67650
Refractive Index:	1.57

Publication Number	Title	Priority Date
CN-113501835-A	Aluminium chloride catalyzed end group alkyne dehydroboronization method	20210712
CN-113429325-A	Polysubstituted selenium-containing cyclopentene (hexene) skeleton derivative and synthetic method thereof	20210706
CN-113354511-A	Synthesis method of gem-1, 3-eneyne compound	20210609
CN-113248455-A	3, 5-disubstituted isoxazole derivatives and synthesis method thereof	20210525
CN-113372219-A	Method for preparing ethynylnaphthalene derivative by [4+2] cyclization reaction with water as solvent	20210517

PMID	Publication Date	Title	Journal
22286133	20120321	Facile synthesis of luminescent benzo-1,2-dihydrophosphinines from a phosphaalkene	Dalton transactions (Cambridge, England : 2003)
20532408	20100807	Ligand-assisted J-type aggregates of zinc porphyrin: anticooperative molecular organization in self-assembled bolaamphiphile	Organic & biomolecular chemistry
21588063	20100630	4-(4-Meth-oxy-phen-yl)-2-methyl-but-3-yn-2-ol	Acta crystallographica. Section E, Structure reports online
19783912	20090824	Iodoarylation of arylalkynes with molecular iodine in the presence of hypervalent iodine reagents	Molecules (Basel, Switzerland)
21203126	20080705	2-(4-Methoxy-phen-yl)-1H-indene	Acta crystallographica. Section E, Structure reports online

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[127-66-2]
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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
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

Complexity:	134
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	132.057514874
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	132.057514874
Rotatable Bond Count:	2
Topological Polar Surface Area:	9.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.5