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510750

Sigma-Aldrich

1-Chloro-4-(phenylethynyl)benzene

98%

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About This Item

Linear Formula:
ClC6H4C≡CC6H5
CAS Number:
5172-02-1
Molecular Weight:
212.67
MDL number:
MFCD00957930
UNSPSC Code:
12352100
PubChem Substance ID:
24873531
NACRES:
NA.22

Quality Level

100

Assay

98%

mp

81-83 °C (lit.)

SMILES string

Clc1ccc(cc1)C#Cc2ccccc2

InChI

1S/C14H9Cl/c15-14-10-8-13(9-11-14)7-6-12-4-2-1-3-5-12/h1-5,8-11H

InChI key

YMZAAGCDWVIPNL-UHFFFAOYSA-N

Related Categories

General description

1-Chloro-4-(phenylethynyl)benzene is an internal alkyne that can be prepared by palladium-catalyzed Kumada cross-coupling reaction.

Application

1-Chloro-4-(phenylethynyl)benzene may be used in the preparation of 1-(4-chlorophenyl)-4-methyl-2-phenylnaphthalene and 2-(4-chlorophenyl)-4-methyl-1-phenylnaphthalene as a 1:1 mixture.

Pictograms

Exclamation mark
GHS07

Signal Word

Warning

Hazard Statements

H315 - H319 - H335

Hazard Classifications

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

Target Organs

Respiratory system

Storage Class Code

11 - Combustible Solids

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

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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Synthesis of Internal Alkynes by Pd(PPh3)4/TMEDA-Catalyzed Kumada Cross-Coupling of Alkynyl Halides with Grignard Reagents.
Zhang MM, et al.
European Journal of Organic Chemistry, 2014(30), 6769-6773 (2014)
Practical synthesis of polysubstituted naphthalene derivatives via HNTf2-catalyzed benzannulation reaction.
Ponra S, et al.
ARKIVOC (Gainesville, FL, United States), 2, 62-81 (2016)
Alisa Bahar Beydogan et al.
The Journal of pharmacy and pharmacology, 71(3), 408-416 (2018-11-15)
A large amount of fructose is metabolized in the liver and causes hepatic functional damage. Δ9 -tetrahydrocannabinol (THC) is known as a therapeutic agent for clinical and experimental applications. The study aims to investigate the effects of THC treatment on

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