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521140

Sigma-Aldrich

3-Ethynyltoluene

97%

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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%

refractive index

n20/D 1.5440 (lit.)

bp

170-175 °C (lit.)

density

0.900 g/mL at 25 °C (lit.)

SMILES string

Cc1cccc(c1)C#C

InChI

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

InChI key

RENYIDZOAFFNHC-UHFFFAOYSA-N

Signal Word

Danger

Hazard Statements

Hazard Classifications

Asp. Tox. 1 - 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)

77.0 °F - closed cup

Flash Point(C)

25 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

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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Erzsébet Mernyák et al.
The Journal of steroid biochemistry and molecular biology, 150, 123-134 (2015-04-08)
Novel 16-triazoles in the 13α-estrone series were synthesized via Cu(I)-catalyzed azide-alkyne cycloaddition of the two diastereomeric (on C-16 and on C-17) 16-azido-13α-estra-1,3,5(10)-trien-17-ol 3-benzyl ethers with substituted phenylacetylenes. The new heterocyclic derivatives were evaluated in vitro by means of MTT assays
Microwave-assisted palladium-catalyzed highly regio-and stereoselective head to head dimerization of terminal aryl alkynes in water.
Buxaderas E, et al.
Royal Society of Chemistry Advances, 4(87), 46508-46512 (2014)
Krishna Bahadur Somai Magar et al.
Molecular diversity, 17(4), 679-691 (2013-08-03)
The rhodium(II)-catalyzed reactions of cyclic diazo compounds derived from barbituric acid or thiobarbituric acid with arylacetylenes and styrenes were examined. These reactions provide a rapid synthetic route to the preparation of a variety of novel and diverse furo [2,3-d pyrimidine-2,4-diones
Yasuhito Suzuki et al.
Forensic science international, 278, 228-239 (2017-08-02)
Various autopsy findings are used for the diagnosis of burning death, including inhalation injury, soot in the respiratory tract, vital reaction, blood carboxyhemoglobin (COHb), and blood cyanide. However, not all findings are necessarily complete, and autopsy diagnosis can be difficult
Hanfeng Jin et al.
Rapid communications in mass spectrometry : RCM, 34(21), e8899-e8899 (2020-07-18)
Aromatic hydrocarbons play an important role in the formation and growth of polycyclic aromatic hydrocarbon (PAH) and soot particles. Measurements of their absolute photoionization cross-sections (PICSs), that benefit the quantitative investigation of mass spectrometry, are still lacking, however. PICSs of

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