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206504

Sigma-Aldrich

4-Ethynyltoluene

97%

Synonym(s):

1-Ethynyl-4-methylbenzene

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About This Item

Linear Formula:
CH3C6H4C≡CH
CAS Number:
766-97-2
Molecular Weight:
116.16
MDL number:
MFCD00008571
UNSPSC Code:
12352100
PubChem Substance ID:
24852404
NACRES:
NA.22

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
GHS02,GHS07

Signal Word

Warning

Hazard Statements

H226,H315,H319,H335

Hazard Classifications

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

Target Organs

Respiratory system

Storage Class Code

3 - Flammable liquids

WGK

WGK 3

Flash Point(F)

120.2 °F - closed cup

Flash Point(C)

49 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Listings

Regulatory Listings are mainly provided for chemical products. Only limited information can be provided here for non-chemical products. No entry means none of the components are listed. It is the user’s obligation to ensure the safe and legal use of the product.

FSL

Group 4: Flammable liquids
Type 2 petroleums
Hazardous rank III
Water insoluble liquid

JAN Code

206504-5G:
206504-VAR:
206504-BULK:
206504-1KG:
206504-500G:

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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Yanxia Zhao et al.
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
Li-Jing Han et al.
Dalton transactions (Cambridge, England : 2003), 49(24), 8347-8353 (2020-06-11)
A series of dinuclear platinum(ii) alkynyl complexes [Pt2L2(C[triple bond, length as m-dash]CC6H4R-4)4] (R = H 1, CH32, But3) and unusual tetranuclear Pt(ii)-Ag(i) clusters [Pt2Ag2L(C[triple bond, length as m-dash]CC6H4R-4)6] (R = H, 4; CH3, 5; But, 6), together with novel polymer
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