Lot numbers can be found on the outside label of a product:
5,6-Difluoroindole
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CAS No. 169674-01-5
- Cat. No. CS-W009079
- Purity≥98%
- MDL No.MFCD01075212
*For research and further manufacturing use only, not for direct human use.
Structure of 169674-01-5
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General Information
- CAS No. 169674-01-5
- Cat. No. CS-W009079
- Purity ≥98%
- MDL No. MFCD01075212
- Storage Store at room temperature
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₈H₅F₂N
- Molecular Weight 153.13
- Synonym(s) 5,6-Difluoro-1H-indole
- SMILES FC1=C(F)C=C2C(NC=C2)=C1
Description
5,6-Difluoroindole features two fluorine atoms at the 5- and 6-positions of the indole core, imparting enhanced electron deficiency and improved metabolic stability. This substitution pattern increases reactivity in cross-coupling processes while maintaining bench-stable handling properties. The molecule integrates readily into complex heterocyclic architectures used in medicinal chemistry and materials science.
Application
5,6-Difluoroindole serves as a valuable building block in medicinal chemistry, enabling direct incorporation of fluorinated heterocycles into bioactive molecules. The difluoro substitution enhances metabolic stability and modulates electronic properties, while maintaining compatibility with standard coupling reactions. Its bench-stable nature and predictable reactivity facilitate efficient synthesis of complex scaffolds in drug discovery workflows.
Synthesis
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Route1
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847685-03-4 - ~84%
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In-stock
169674-01-5
References
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Wang, Jianji; Soundarajan, Nachimuthu; Liu, Nian; Zimmermann, Kurt; Naidu, B. Narasimhulu Tetrahedron Letters, 2005 , vol. 46, # 6 p. 907 - 910
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Route2
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3863-11-4 - ~%
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In-stock
169674-01-5
References
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Tetrahedron Letters, , vol. 46, # 6 p. 907 - 910
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Route3
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In-stock
847685-01-2 - ~%
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In-stock
169674-01-5
References
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Tetrahedron Letters, , vol. 46, # 6 p. 907 - 910
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Safety Information
Download SDS|
GHS Pictogram :
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GHS No : GHS07
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Signal Word : Warning
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UN#: N/A
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Class : N/A
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Packing Group : N/A
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Hazard Statements : H302-H315-H319-H335
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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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Quality Control
Computational Chemistry Data
- TPSA 15.79
- LogP 2.4461
- H_Acceptors 0
- H_Donors 1
- Rotatable_Bonds 0
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Key Words
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