Lot numbers can be found on the outside label of a product:
1,4-Diamino-2,5-difluorobenzene
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CAS No. 698-52-2
- Cat. No. CS-0162518
- Purity≥95%
- MDL No.None
*For research and further manufacturing use only, not for direct human use.
Structure of 698-52-2
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General Information
- CAS No. 698-52-2
- Cat. No. CS-0162518
- Purity ≥95%
- MDL No. None
- Storage 4°C, protect from light
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₆H₆F₂N₂
- Molecular Weight 144.12
- Synonym(s) 2,5-Difluorobenzene-1,4-diamine
- SMILES FC1=C(N)C=C(F)C(N)=C1
Description
1,4-Diamino-2,5-difluorobenzene features two amino groups at opposite positions on a fluorinated benzene ring, delivering enhanced electron density and directed reactivity. The para-amino substitution pattern enables efficient coupling in amide bond formation, while the ortho-fluorine atoms facilitate selective nucleophilic aromatic substitution. This dual functionality supports integration into advanced heterocycles, conjugated polymers, and functional materials requiring precise electronic tuning.
Application
1,4-Diamino-2,5-difluorobenzene serves as a versatile building block in medicinal chemistry and materials science, enabling the construction of fluorinated aromatic scaffolds via palladium-catalyzed cross-coupling reactions. The ortho-fluoro substituents provide high reactivity in nucleophilic substitution processes, while the diamino functionality offers strategic handles for further derivatization. Its bench-stable crystalline form facilitates handling and purification, making it well-suited for scalable synthesis of advanced intermediates and functionalized heterocycles.
Synthesis
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Route1
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In-stock
404-01-3 - ~%
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In-stock
698-52-2
References
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Finger et al. Journal of the American Chemical Society, 1951 , vol. 73, p. 153 Journal of the American Chemical Society, 1959 , vol. 81, p. 94,98
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Route2
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In-stock
398-90-3 - ~%
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In-stock
698-52-2
References
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Finger et al. Journal of the American Chemical Society, 1951 , vol. 73, p. 153 Journal of the American Chemical Society, 1959 , vol. 81, p. 94,98
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Route3
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In-stock
2105-61-5 - ~%
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In-stock
698-52-2
References
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Montgomery,J.A.; Hewson,K. Journal of Medicinal Chemistry, 1965 , vol. 8, p. 737 - 740
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Safety Information
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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 : H315-H319
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Precautionary Statements : P264-P280-P302+P352-P362
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Quality Control
Computational Chemistry Data
- TPSA 52.04
- LogP 1.1292
- H_Acceptors 2
- H_Donors 2
- Rotatable_Bonds 0
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Key Words
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