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Sigma-Aldrich

2-Ethynyltoluene

97%

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About This Item

Linear Formula:
CH3C6H4C≡CH
CAS Number:
766-47-2
Molecular Weight:
116.16
MDL number:
MFCD03427202
UNSPSC Code:
12352100
PubChem Substance ID:
24879773
NACRES:
NA.22

Assay

97%

refractive index

n20/D 1.5470 (lit.)

bp

50-60 °C/30 mmHg (lit.)

density

0.922 g/mL at 25 °C (lit.)

SMILES string

Cc1ccccc1C#C

InChI

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

InChI key

MYBSUWNEMXUTAX-UHFFFAOYSA-N

General description

2-Ethynyltoluene undergoes dimerization in the presence of an ionic catalyst.

Application

2-Ethynyltoluene may be used in the synthesis of Ph2N(2-MeC6H4)C=CH2.

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)

95.0 °F - closed cup

Flash Point(C)

35 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

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Certificates of Analysis (COA)

Lot/Batch Number
MKCQ7268
MKCJ5332
MKCF0449
MKBZ9933V
MKBS7110V

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Frustrated Lewis Pair Catalyzed Hydroamination of Terminal Alkynes.
Mahdi T and Stephan DW.
Angewandte Chemie (International Edition in English), 52(47), 12418-12421 (2013)
Scandium, yttrium, and lanthanum benzyl and alkynyl complexes with the N-(2-pyrrolidin-1-ylethyl)-1, 4-diazepan-6-amido ligand: Synthesis, characterization, and Z-selective catalytic linear dimerization of phenylacetylenes.
Ge S, et al.
Organometallics, 28(3), 719-726 (2009)
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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