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About This Item
Linear Formula:
ClC6H4C≡CC6H5
CAS Number:
Molecular Weight:
212.67
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22
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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.
Signal Word
Warning
Hazard Statements
Precautionary Statements
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
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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)
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