ChemicalBook--->CAS DataBase List--->5172-02-1

5172-02-1

5172-02-1 Structure

5172-02-1 Structure
IdentificationBack Directory
[Name]

1-CHLORO-4-(PHENYLETHYNYL)BENZENE 98
[CAS]

5172-02-1
[Synonyms]

1-CHLORO-4-(PHENYLETHYNYL)BENZENE 98
1-Chloro-4-(phenylethynyl)benzene 98%
Benzene, 1-chloro-4-(2-phenylethynyl)-
[Molecular Formula]

C14H9Cl
[MDL Number]

MFCD00957930
[MOL File]

5172-02-1.mol
[Molecular Weight]

212.67
Chemical PropertiesBack Directory
[Melting point ]

81-83 °C (lit.)
[InChI]

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

YMZAAGCDWVIPNL-UHFFFAOYSA-N
[SMILES]

Clc1ccc(cc1)C#Cc2ccccc2
Safety DataBack Directory
[Hazard Codes ]

Xi
[Risk Statements ]

36/37/38
[Safety Statements ]

26-36
[WGK Germany ]

3
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
Hazard InformationBack Directory
[Uses]

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.
[General Description]

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