Lot numbers can be found on the outside label of a product:
4-(Diphenylamino)benzonitrile
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CAS No. 20441-00-3
- Cat. No. CS-0160957
- Purity≥95%
- MDL No.MFCD09833579
*For research and further manufacturing use only, not for direct human use.
Structure of 20441-00-3
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General Information
- CAS No. 20441-00-3
- Cat. No. CS-0160957
- Purity ≥95%
- MDL No. MFCD09833579
- Storage 4°C, protect from light
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₁₉H₁₄N₂
- Molecular Weight 270.33
- Synonym(s) 4-DIPHENYLAMINO-BENZONITRILE
- SMILES N#CC1=CC=C(N(C2=CC=CC=C2)C3=CC=CC=C3)C=C1
Description
4-(Diphenylamino)benzonitrile features a diphenylamino group conjugated to a nitrile-bearing benzene ring, delivering strong electron-donating character and enhanced solubility in organic media. This structure supports efficient charge transport in optoelectronic materials, enabling its use in organic semiconductors and light-emitting devices.
Application
4-(Diphenylamino)benzonitrile serves as a versatile building block in synthetic organic chemistry, enabling the construction of advanced π-conjugated systems. Its diphenylamino group provides strong electron-donating character, while the nitrile functionality offers compatibility with nucleophilic additions and oxime derivatization. The compound exhibits good bench stability and facilitates efficient purification, making it well-suited for applications in materials science and medicinal chemistry scaffold development.
Synthesis
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Route1
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In-stock
623-03-0 -
122-39-4 - ~95%
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In-stock
20441-00-3
References
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Kataoka, Noriyasu; Shelby, Quinetta; Stambuli, James P.; Hartwig, John F. Journal of Organic Chemistry, 2002 , vol. 67, # 16 p. 5553 - 5566
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Route2
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In-stock
4181-05-9 -
141-53-7 - ~%
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In-stock
20441-00-3
References
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Ciba Specialty Chemicals Corporation Patent: US6603020 B1, 2003 ;
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Route3
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In-stock
3058-39-7 -
122-39-4
- ~96%
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In-stock
20441-00-3
References
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Wong, Ken-Tsung; Ku, Sung-Yu; Yen, Feng-Wen Tetrahedron Letters, 2007 , vol. 48, # 29 p. 5051 - 5054
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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-P280-P302+P352
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Quality Control
Computational Chemistry Data
- TPSA 27.03
- LogP 5.02808
- H_Acceptors 2
- H_Donors 0
- Rotatable_Bonds 3
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