Lot numbers can be found on the outside label of a product:
1,2-Diamino-4,5-difluorobenzene
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CAS No. 76179-40-3
- Cat. No. CS-W007638
- Purity≥95%
- MDL No.MFCD00061131
*For research and further manufacturing use only, not for direct human use.
Structure of 76179-40-3
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General Information
- CAS No. 76179-40-3
- Cat. No. CS-W007638
- Purity ≥95%
- MDL No. MFCD00061131
- Storage RT, protect from light
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₆H₆F₂N₂
- Molecular Weight 144.12
- Synonym(s) 4,5-Difluoro-1,2-phenylenediamine
- SMILES NC1=C(C=C(C(=C1)F)F)N
Description
1,2-Diamino-4,5-difluorobenzene features two amino groups flanked by fluorine substituents, enabling selective coupling reactions in heterocyclic synthesis. This electron-deficient aromatic scaffold offers enhanced stability and directional reactivity, facilitating efficient integration into advanced pharmaceutical intermediates and functional materials under standard conditions.
Application
1,2-Diamino-4,5-difluorobenzene serves as a versatile building block in medicinal chemistry and materials science, enabling the construction of fluorinated heterocycles and functionalized aromatic scaffolds. Its dual amine functionality and ortho-fluorine substituents facilitate palladium-catalyzed cross-coupling reactions and directed metalation, offering high regioselectivity in complex molecule assembly. The compound exhibits excellent bench stability and compatibility with standard purification methods, making it well-suited for iterative synthesis workflows in API development and advanced materials design.
Synthesis
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Route1
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In-stock
78056-39-0 - ~97%
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In-stock
76179-40-3
References
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Baudy, Reinhardt B.; Greenblatt, Lynne P.; Jirkovsky, Ivo L.; Conklin, Mary; Russo, Ralph J.; et al. Journal of Medicinal Chemistry, 1993 , vol. 36, # 3 p. 331 - 342
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Route2
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351520-29-1 - ~%
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In-stock
76179-40-3
References
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US2003/83315 A1, ; US 20030083315 A1
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Route3
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In-stock
78056-39-0
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7439-89-6 - ~78%
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In-stock
76179-40-3
References
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The Regents of the University of Michigan Patent: US5360795 A1, 1994 ;
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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 52.04
- LogP 1.1292
- H_Acceptors 2
- H_Donors 2
- Rotatable_Bonds 0
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Key Words
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