4-Chloro-1-ethynyl-2-fluorobenzene

Name: 4-Chloro-1-ethynyl-2-fluorobenzene
Brand: ChemScene
Availability: InStock
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CAS No. 188472-71-1
Cat. No. CS-0140861
Purity≥96%
MDL No.MFCD08703530

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Type	HazMat Fee
Excepted Quantity	$0.00
FedEx Limited Quantities Ground	$0.00
Hazmat Ground shipping	$50.00+
Inaccessible (Haz class 6.1 or 9), Domestic	$68.00+
Accessible (Haz class 3, 4, 5 or 8), Domestic	$158.00+
Inaccessible (Haz class 6.1 or 9), International	$108.00+
Accessible (Haz class 3, 4, 5 or 8), International	$238.00+

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4-Chloro-1-ethynyl-2-fluorobenzene|CS-0140861

Structure of 188472-71-1

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General Information

CAS No. 188472-71-1
Cat. No. CS-0140861
Purity ≥96%
MDL No. MFCD08703530
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₈H₄ClF
Molecular Weight 154.57
Synonym(s) 4-CHLORO-1-ETHYNYL-2-FLUORO-BENZENE
SMILES FC1=CC(Cl)=CC=C1C#C

Description

4-Chloro-1-ethynyl-2-fluorobenzene features a strategically positioned ethynyl group flanked by electron-withdrawing chlorine and fluorine substituents, enabling efficient coupling in palladium-catalyzed cross-coupling reactions. This bench-stable aryl acetylene integrates readily into complex molecular architectures, offering high functional group tolerance and predictable reactivity in synthetic workflows.

Application

4-Chloro-1-ethynyl-2-fluorobenzene serves as a versatile building block in transition-metal-catalyzed coupling reactions, enabling efficient access to substituted biaryls and conjugated systems. The ortho-fluoro and chloro substituents provide orthogonal reactivity for sequential functionalization, while the terminal alkyne facilitates Sonogashira, Glaser, or Huisgen cycloadditions. Bench-stable and readily purified by column chromatography, it supports scalable synthesis of complex scaffolds relevant to medicinal chemistry and materials science.

Safety Information

Download SDS

GHS Pictogram :	GHS No : GHS02,GHS07
Signal Word : Danger	UN#: 1325
Class : 4.1	Packing Group : Ⅲ
Hazard Statements : H228-H315-H319-H335
Precautionary Statements : P210-P240-P241-P280-P370+P378

Quality Control

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Computational Chemistry Data

TPSA 0
LogP 2.4604
H_Acceptors 0
H_Donors 0
Rotatable_Bonds 0

Other Classifications

Building Blocks Functional Group Chloride

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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4-Chloro-1-ethynyl-2-fluorobenzene

CAS No. 188472-71-1

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