4,6-Difluoro-1H-indole-2,3-dione

Name: 4,6-Difluoro-1H-indole-2,3-dione
Brand: ChemScene
Availability: InStock
Rating: 5 (1 reviews)

CAS No. 126674-93-9
Cat. No. CS-W020682
Purity≥98%
MDL No.MFCD03618552

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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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4,6-Difluoro-1H-indole-2,3-dione|CS-W020682

Structure of 126674-93-9

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General Information

CAS No. 126674-93-9
Cat. No. CS-W020682
Purity ≥98%
MDL No. MFCD03618552
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₈H₃F₂NO₂
Molecular Weight 183.11
Synonym(s) 4,6-Difluoro-2,3-dihydro-2,3-dioxoindole; 4,6-Difluoro-2,3-dioxoindoline; BUTTPARK 50\07-84
SMILES O=C1NC2=C(C(F)=CC(F)=C2)C1=O

Description

4,6-Difluoro-1H-indole-2,3-dione features a highly electron-deficient quinone core with fluorine substituents at the 4 and 6 positions, enhancing reactivity in cycloaddition and electrophilic substitution processes. This bench-stable compound integrates readily into complex molecular architectures requiring strong π-acceptor functionality.

Application

4,6-Difluoro-1H-indole-2,3-dione serves as a versatile building block in synthetic organic chemistry, enabling efficient access to fluorinated heterocyclic scaffolds. Its electron-deficient quinone core facilitates nucleophilic addition and cycloaddition reactions, while the difluoro substitution enhances metabolic stability and modulates electronic properties. The compound exhibits good bench stability and compatibility with common functional groups, making it suitable for iterative synthesis workflows in medicinal chemistry and materials science applications.

Synthesis

Route1
- 940054-61-5
- ~95%
- In-stock
  
  126674-93-9
References
- US2008/293749 A1, ; Page/Page column 14 ;
Route2
- In-stock
  
  372-39-4
- ~%
- In-stock
  
  126674-93-9
References
- Organic Process Research and Development, , vol. 14, # 5 p. 1078 - 1087

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 46.17
LogP 1.0996
H_Acceptors 2
H_Donors 1
Rotatable_Bonds 0

Other Classifications

Building Blocks Skeleton Aromatic heterocycle compounds Indolin compounds

Key Words

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4,6-Difluoro-1H-indole-2,3-dione

CAS No. 126674-93-9

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