510750

1-Chloro-4-(phenylethynyl)benzene

98%

• Linear Formula: ClC₆H₄C≡CC₆H₅
• CAS Number: 5172-02-1
• Molecular Weight: 212.67
• NACRES: NA.22
• PubChem Substance ID: 24873531
• UNSPSC Code: 12352100
• MDL number: MFCD00957930
• Assay: 98%

Properties

• assay: 98%
• mp: 81-83 °C (lit.)
• functional group: chloro, phenyl
• 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

Description

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.

Safety Information

• pictograms: GHS07
• signalword: Warning
• hcodes: H315,H319,H335
• pcodes: P261 - P264 - P271 - P280 - P302 + P352 - P305 + P351 + P338
• Hazard Classifications: Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
• target_organs: Respiratory system
• Storage Class: 11 - Combustible Solids
• wgk: WGK 3
• flash_point_f: Not applicable
• flash_point_c: Not applicable
• ppe: dust mask type N95 (US), Eyeshields, Gloves