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558788

Sigma-Aldrich

2-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

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

Signal Word

Warning

Hazard Statements

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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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

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