Lot numbers can be found on the outside label of a product:
Bis(4-nitrophenyl)amine
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CAS No. 1821-27-8
- Cat. No. CS-W014603
- Purity≥95%
- MDL No.None
*For research and further manufacturing use only, not for direct human use.
Structure of 1821-27-8
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General Information
- CAS No. 1821-27-8
- Cat. No. CS-W014603
- Purity ≥95%
- MDL No. None
- Storage 4°C, protect from light
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₁₂H₉N₃O₄
- Molecular Weight 259.22
- Synonym(s) 4-Nitro-N-(4-nitrophenyl)aniline
- SMILES [O-][N+](C1=CC=C(NC2=CC=C([N+]([O-])=O)C=C2)C=C1)=O
Description
Bis(4-nitrophenyl)amine features two para-nitro groups flanking a central aniline core, delivering strong electron-withdrawing character. This configuration enhances stability under oxidative conditions and supports use in conjugated systems for organic electronics. The molecule integrates readily into donor-acceptor architectures, enabling efficient charge transfer in materials design.
Application
Bis(4-nitrophenyl)amine serves as a versatile building block in the synthesis of functionalized aromatic systems, enabling efficient access to electron-deficient biaryls and heterocyclic scaffolds. Its stability under standard conditions facilitates straightforward handling and purification, while the ortho-directed nitro groups support subsequent transformations such as reduction, coupling, and electrophilic substitution. Functions effectively in Pd-catalyzed cross-coupling reactions and as a precursor in materials chemistry applications.
Synthesis
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Route1
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100-00-5 - ~72%
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In-stock
1821-27-8
References
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US4990673 A1, ;
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Route2
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98-95-3
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In-stock
57-13-6 - ~96%
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In-stock
1821-27-8
References
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US2012/197044 A1, ; Page/Page column 3 ;
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Route3
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100-01-6
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100-00-5
- ~87%
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In-stock
20440-93-1 -
In-stock
1821-27-8
References
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Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999), , p. 1331 - 1336
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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 : H315-H319
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Precautionary Statements : P264-P280-P302+P352-P362
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Quality Control
Computational Chemistry Data
- TPSA 98.31
- LogP 3.2466
- H_Acceptors 5
- H_Donors 1
- Rotatable_Bonds 4
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