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521140

Sigma-Aldrich

3-Ethynyltoluene

97%

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About This Item

Linear Formula:
Ch3C6H4C≡CH
CAS Number:
766-82-5
Molecular Weight:
116.16
MDL number:
MFCD01318174
UNSPSC Code:
12352100
PubChem Substance ID:
24874190
NACRES:
NA.22

Quality Level

100

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

Related Categories

Signal Word

Danger

Hazard Statements

H226,H304,H315,H319,H335

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

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Certificates of Analysis (COA)

Lot/Batch Number
MKCK5965
MKCK2645
MKCJ6629
MKBZ0425V
MKBJ9265V

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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
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
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)
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

Articles

New Aromatic Terminal Alkynes

The terminal alkyne functionality has a wide range of applications including most recently the synthesis of spiropyran substituted 2,3-dicyanopyrazines and (±)-asteriscanolide, as well as conversion to enamines using resin-bound 2° amines.

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