2-Ethynyl-1,4-difluorobenzene

Name: 2-Ethynyl-1,4-difluorobenzene
Brand: ChemScene
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CAS No. 956386-38-2
Cat. No. CS-0265629
Molecule weightNone
Purity≥98%
MDL No.MFCD11655754

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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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2-Ethynyl-1,4-difluorobenzene|CS-0265629

Structure of 956386-38-2

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General Information

CAS No. 956386-38-2
Cat. No. CS-0265629
Purity ≥98%
MDL No. MFCD11655754
Storage 4°C, stored under nitrogen
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₈H₄F₂
Molecular Weight None
Synonym(s) 2,5-Difluorophenylacetylene
SMILES C#CC1=CC(=CC=C1F)F

Description

2-Ethynyl-1,4-difluorobenzene is a bench-stable, moisture-tolerant arylacetylene featuring orthogonal functional groups for modular synthesis. The para-fluorine substitution enhances electrophilicity at the ortho-position, enabling efficient coupling reactions. This compound integrates readily into complex scaffolds via copper-catalyzed click chemistry and serves as a key building block in medicinal chemistry and materials science applications.

Application

2-Ethynyl-1,4-difluorobenzene serves as a versatile building block in transition-metal-catalyzed coupling reactions, enabling efficient access to substituted arylacetylenes. Its dual fluorine substituents enhance electrophilicity at the aromatic ring and provide orthogonal reactivity for downstream functionalization. The terminal alkyne group facilitates Sonogashira and Glaser-type couplings with high efficiency, while the compound exhibits excellent bench stability and ease of purification—making it well-suited for medicinal chemistry campaigns and materials synthesis.

Safety Information

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GHS Pictogram :	GHS No : GHS02,GHS07
Signal Word : Danger	UN#: 1993
Class : 3	Packing Group : Ⅲ
Hazard Statements : H225-H315-H319-H335
Precautionary Statements : P210-P233-P240-P241-P242-P243-P260-P261-P264-P271-P280-P302+P352-P362-P370+P378-P405-P501

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Computational Chemistry Data

TPSA 0
LogP 1.9461
H_Acceptors 0
H_Donors 0
Rotatable_Bonds 0

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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2-Ethynyl-1,4-difluorobenzene

CAS No. 956386-38-2

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