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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

signalword

Warning

Hazard Classifications

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

target_organs

Respiratory system

Storage Class

11 - Combustible Solids

wgk_germany

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

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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