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Sigma-Aldrich

4-Ethynyltoluene

97%

Synonym(s):

1-Ethynyl-4-methylbenzene

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About This Item

Linear Formula:
CH3C6H4C≡CH
CAS Number:
Molecular Weight:
116.16
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22

Quality Level

assay

97%

form

liquid

refractive index

n20/D 1.547 (lit.)

bp

168-170 °C (lit.)

density

0.916 g/mL at 25 °C (lit.)

SMILES string

Cc1ccc(cc1)C#C

InChI

1S/C9H8/c1-3-9-6-4-8(2)5-7-9/h1,4-7H,2H3

InChI key

KSZVOXHGCKKOLL-UHFFFAOYSA-N

Related Categories

Application

4-Ethynyltoluene was used in the synthesis of bis(bicyclic) products by the cycloaddition of alkynes to the AlN2C2.

pictograms

FlameExclamation mark

signalword

Warning

Hazard Classifications

Eye Irrit. 2 - Flam. Liq. 3 - Skin Irrit. 2 - STOT SE 3

target_organs

Respiratory system

wgk_germany

WGK 3

flash_point_f

120.2 °F

flash_point_c

49 °C

ppe

Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter


Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

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Chemical communications (Cambridge, England), 49(40), 4546-4548 (2013-04-09)
The reaction of dialumane, [L(2-)(THF)Al(II)-Al(II)(THF)L(2-)] (1, L = [(2,6-iPr2C6H3)NC(Me)]2), with the less reactive diphenylacetylene affords a new insertion product [L(2-)(THF)Al(III)(PhC=CPh)(2-)Al(III)(THF)L(2-)] (2). Reaction of 1 with phenylacetylene (or 4-ethynyltoluene), however, proceeds through cycloaddition of alkynes to the AlN2C2 rings to produce
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