206504
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
Recommended Products
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.
signalword
Warning
hcodes
Hazard Classifications
Eye Irrit. 2 - Flam. Liq. 3 - Skin Irrit. 2 - STOT SE 3
target_organs
Respiratory system
Storage Class
3 - Flammable liquids
wgk_germany
WGK 3
flash_point_f
120.2 °F - closed cup
flash_point_c
49 °C - closed cup
ppe
Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
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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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