Name: Name:1-Ethynyl-4-methylbenzene
Brand: AABLOCKS
SKU: AA003L9V
Rating: 90 (10 reviews)

Technical Information

Catalog Number: AA003L9V

Chemical Name: 1-Ethynyl-4-methylbenzene

CAS Number: 766-97-2

Molecular Formula: C9H8

Molecular Weight: 116.1598

MDL Number: MFCD00008571

SMILES: C#Cc1ccc(cc1)C

Properties

BP: 168-170°C at 760 mmHg

Form: Liquid

MP: 168-170

Refractive Index: n20/D 1.547(lit.)

Storage: Keep in dry area;2-8℃;

Complexity: 118

Covalently-Bonded Unit Count: 1

Defined Atom Stereocenter Count: 0

Defined Bond Stereocenter Count: 0

Formal Charge: 0

Heavy Atom Count: 9

Hydrogen Bond Acceptor Count: 0

Hydrogen Bond Donor Count: 0

Isotope Atom Count: 0

Rotatable Bond Count: 1

Undefined Atom Stereocenter Count: 0

Undefined Bond Stereocenter Count: 0

XLogP3: 3

76: 766E972

Literature fold

Title: Catalytic non-conventional trans-hydroboration: a theoretical and experimental perspective.

Journal: Chemistry (Weinheim an der Bergstrasse, Germany)20120127

Title: Bis[(4-methyl-phen-yl)ethyn-yl] telluride.

Journal: Acta crystallographica. Section E, Structure reports online20100301

Title: Titanium hydroamination catalysts bearing a 2-aminopyrrolinato spectator ligand: monitoring the individual reaction steps.

Journal: Dalton transactions (Cambridge, England : 2003)20090621

Title: Spectroscopic properties of orthometalated platinum(II) bipyridine complexes containing various ethynylaryl groups.

Journal: Chemistry (Weinheim an der Bergstrasse, Germany)20080101

Title: An experimental and theoretical study of the S(1)<--S0 transition of p-ethynyltoluene.

Journal: The Journal of chemical physics20071128

Title: Characterization of substituted polyacetylene microstructure by pyrolysis gas chromatography.

Journal: Journal of separation science20070301

Title: Room temperature phosphorescence from ruthenium(II) complexes bearing conjugated pyrenylethynylene subunits.

Journal: Inorganic chemistry20040920

Title: Synthesis and structural characterization of an azatitanacyclobutene: the key intermediate in the catalytic anti-Markovnikov addition of primary amines to [small alpha]-alkynes.

Journal: Chemical communications (Cambridge, England)20040321

766-97-2 | 1-Ethynyl-4-methylbenzene