5,6-Difluoro-1H-indene-1,3(2H)-dione

Name: 5,6-Difluoro-1H-indene-1,3(2H)-dione
Brand: ChemScene
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CAS No. 1454686-04-4
Cat. No. CS-0096918
Purity≥97%
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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5,6-Difluoro-1H-indene-1,3(2H)-dione|CS-0096918

Structure of 1454686-04-4

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General Information

CAS No. 1454686-04-4
Cat. No. CS-0096918
Purity ≥97%
MDL No. None
Storage 4°C, protect from light, stored under nitrogen
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₉H₄F₂O₂
Molecular Weight 182.12
Synonym(s) 5,?6-?DIFLUOROINDAN-?1,?3-?DIONE
SMILES O=C1CC(C2=C1C=C(F)C(F)=C2)=O

Description

5,6-Difluoro-1H-indene-1,3(2H)-dione features a fluorinated indenone core with enhanced electron-withdrawing character due to the ortho-fluorine substituents. This structure imparts improved metabolic stability and solubility in polar organic solvents, enabling efficient incorporation into synthetic intermediates for medicinal chemistry campaigns.

Application

5,6-Difluoro-1H-indene-1,3(2H)-dione serves as a versatile building block in synthetic organic chemistry, enabling efficient access to fluorinated heterocyclic scaffolds. Its electron-deficient enone system facilitates Michael additions and Diels-Alder reactions with high regioselectivity. The difluoro substitution enhances metabolic stability and modulates electronic properties, making it valuable for medicinal chemistry applications. Bench-stable and amenable to standard purification methods, it functions reliably in multi-step syntheses.

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-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

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Computational Chemistry Data

TPSA 34.14
LogP 1.7339
H_Acceptors 2
H_Donors 0
Rotatable_Bonds 0

Other Classifications

Catalysts and Ligands Ligands Other Oxygen Ligands Diketone Series Ligands

Catalysis Diketone Ligands

Key Words

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5,6-Difluoro-1H-indene-1,3(2H)-dione

CAS No. 1454686-04-4

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