(3-Chloroprop-1-yn-1-yl)benzene

Name: (3-Chloroprop-1-yn-1-yl)benzene
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CAS No. 3355-31-5
Cat. No. CS-W018130
Purity≥98%
MDL No.MFCD06411085

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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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(3-Chloroprop-1-yn-1-yl)benzene|CS-W018130

Structure of 3355-31-5

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Description

This alkyne-functionalized aryl compound features a terminal propargylic chloride group attached to a benzene ring, enabling efficient coupling reactions. The chlorine atom serves as a potent electrophilic handle for nucleophilic substitution, while the triple bond supports palladium-catalyzed cross-coupling and click chemistry applications. Bench-stable under standard conditions, it integrates seamlessly into molecular architectures requiring orthogonal reactivity.

Application

(3-Chloroprop-1-yn-1-yl)benzene serves as a versatile building block in transition-metal-catalyzed coupling reactions, enabling efficient access to functionalized alkynes and conjugated systems. Its terminal alkyne functionality exhibits excellent stability under ambient conditions and compatibility with diverse reaction partners, including palladium- and copper-mediated cross-couplings. The chloro-substituted propargyl group facilitates downstream transformations such as nucleophilic substitution and cyclization, making it a practical scaffold for synthesizing complex heterocycles and bioactive intermediates.

General Information

CAS No. 3355-31-5
Cat. No. CS-W018130
Purity ≥98%
MDL No. MFCD06411085
Storage 4°C
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₉H₇Cl
Molecular Weight 150.61
Synonym(s) 3-Phenylpropargyl chloride
SMILES ClCC#CC1=CC=CC=C1

Computational Chemistry Data

TPSA 0
LogP 2.2769
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 : H302-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-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

Key Words

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(3-Chloroprop-1-yn-1-yl)benzene

CAS No. 3355-31-5

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