1,3-Dichloro-5-ethynylbenzene

Name: 1,3-Dichloro-5-ethynylbenzene
Brand: ChemScene
Availability: InStock
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CAS No. 99254-90-7
Cat. No. CS-0046892
Purity≥96%
MDL No.None

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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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1,3-Dichloro-5-ethynylbenzene|CS-0046892

Structure of 99254-90-7

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Description

1,3-Dichloro-5-ethynylbenzene features a rigid aromatic core with orthogonal functional handles: two chlorine atoms at the 1,3-positions enable selective cross-coupling, while the para-ethynyl group provides a reactive alkyne for copper-catalyzed click chemistry or Sonogashira coupling. This dual functionality supports modular assembly of complex architectures in synthetic organic and materials chemistry.

Application

1,3-Dichloro-5-ethynylbenzene serves as a versatile building block in synthetic organic chemistry, enabling palladium-catalyzed coupling reactions due to its orthogonal functional groups. The ethynyl moiety facilitates Sonogashira and Glaser-type couplings, while the dichloro substitution pattern supports further functionalization via cross-coupling or nucleophilic aromatic substitution. Its bench-stable nature and compatibility with diverse reaction conditions make it a practical choice for constructing complex aromatic scaffolds and conjugated systems in medicinal chemistry and materials science applications.

General Information

CAS No. 99254-90-7
Cat. No. CS-0046892
Purity ≥96%
MDL No. None
Storage 4°C, stored under nitrogen
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₈H₄Cl₂
Molecular Weight 171.02
Synonym(s) 3,5-Dichlorophenylacetylene
SMILES C#CC1=CC(Cl)=CC(Cl)=C1

Computational Chemistry Data

TPSA 0
LogP 2.9747
H_Acceptors 0
H_Donors 0
Rotatable_Bonds 0

Safety Information

Download SDS

GHS Pictogram :	GHS No : GHS07
Signal Word : Warning	UN#: N/A
Class : N/A	Packing Group : N/A
Hazard Statements : H315-H319-H335
Precautionary Statements : P261-P264-P271-P280-P302+P352-P304+P340-P362+P364-P405-P501

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Other Classifications

Building Blocks Functional Group Alkyne

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Life Science Click Chemistry Reagents Alkyne

Chemical Biology Pharmaceutical Development and Drug Discovery Research Conjugation Chemistry/Click Chemistry Terminal Alkynes

Chemical Biology Conjugation Chemistry/Click Chemistry Terminal Alkynes

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1,3-Dichloro-5-ethynylbenzene

CAS No. 99254-90-7

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