Lot numbers can be found on the outside label of a product:
2,6-Difluoro-4-formylbenzonitrile
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CAS No. 433939-88-9
- Cat. No. CS-W005818
- Purity≥96%
- MDL No.MFCD09263470
*For research and further manufacturing use only, not for direct human use.
Structure of 433939-88-9
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General Information
- CAS No. 433939-88-9
- Cat. No. CS-W005818
- Purity ≥96%
- MDL No. MFCD09263470
- Storage 4°C, stored under nitrogen
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₈H₃F₂NO
- Molecular Weight 167.11
- Synonym(s) 4-CYANO-3,5-DIFLUORO BENZALDEHYDE
- SMILES FC1=C(C#N)C(=CC(=C1)C=O)F
Description
2,6-Difluoro-4-formylbenzonitrile features a trifunctional aromatic core with electron-withdrawing fluorine and nitrile groups flanking a formyl moiety. This configuration enables direct coupling in cross-coupling reactions and facilitates incorporation into heterocyclic scaffolds under mild conditions. The molecule exhibits enhanced stability and solubility in polar aprotic solvents.
Application
2,6-Difluoro-4-formylbenzonitrile serves as a versatile building block in medicinal chemistry, enabling efficient access to substituted heterocycles via nucleophilic addition and cyclization reactions. The ortho-fluorine atoms facilitate directed metalation, while the formyl and nitrile groups offer complementary reactivity for late-stage functionalization. Bench-stable and amenable to purification by flash chromatography, it functions reliably in multistep syntheses requiring high regiocontrol and functional group tolerance.
Synthesis
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Route1
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479621-01-7 - ~99%
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In-stock
433939-88-9
References
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Inghardt, Tord; Johansson, Anders; Svensson, Arne Patent: US2004/19033 A1, 2004 ; Location in patent: Page/Page column 47 ;
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Route2
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717883-47-1
- ~%
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In-stock
433939-88-9
References
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Olsen, Jacob; Seiler, Paul; Wagner, Bjoern; Fischer, Holger; Tschopp, Thomas; Obst-Sander, Ulrike; Banner, David W.; Kansy, Manfred; Mueller, Klaus; Diederich, Francois Organic and Biomolecular Chemistry, 2004 , vol. 2, # 9 p. 1339 - 1352
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Route3
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In-stock
32085-88-4 - ~%
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In-stock
433939-88-9
References
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Olsen, Jacob; Seiler, Paul; Wagner, Bjoern; Fischer, Holger; Tschopp, Thomas; Obst-Sander, Ulrike; Banner, David W.; Kansy, Manfred; Mueller, Klaus; Diederich, Francois Organic and Biomolecular Chemistry, 2004 , vol. 2, # 9 p. 1339 - 1352
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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 40.86
- LogP 1.64898
- H_Acceptors 2
- H_Donors 0
- Rotatable_Bonds 1
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Key Words
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