Lot numbers can be found on the outside label of a product:
4-Aminoisophthalonitrile
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CAS No. 19619-22-8
- Cat. No. CS-0311622
- Purity≥97%
- MDL No.MFCD00270798
*For research and further manufacturing use only, not for direct human use.
Structure of 19619-22-8
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General Information
- CAS No. 19619-22-8
- Cat. No. CS-0311622
- Purity ≥97%
- MDL No. MFCD00270798
- Storage 4°C, protect from light
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₈H₅N₃
- Molecular Weight 143.15
- Synonym(s) 2,4-Dicyanoaniline
- SMILES N#CC1=CC=C(N)C(C#N)=C1
Description
4-Aminoisophthalonitrile features a rigid aromatic core with strategically positioned amino and nitrile groups, enabling integration into conjugated frameworks. This bifunctional scaffold supports efficient coupling reactions and offers enhanced solubility in polar solvents, facilitating use in modular synthesis of functional materials and pharmaceutical intermediates under standard conditions.
Application
4-Aminoisophthalonitrile serves as a versatile building block in synthetic organic chemistry, enabling the construction of heterocyclic scaffolds and functionalized aromatic systems. Its dual nitrile and primary amine groups offer orthogonal reactivity for sequential transformations, facilitating efficient derivatization in medicinal chemistry and materials science. The compound exhibits good bench stability and is readily purified by recrystallization, supporting reliable use in multi-step syntheses.
Synthesis
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Route1
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557-21-1 -
In-stock
39263-32-6 - ~82%
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In-stock
19619-22-8
References
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Renhowe, Paul A.; Pecchi, Sabina; Shafer, Cynthia M.; Machajewski, Timothy D.; Jazan, Elisa M.; Taylor, Clarke; Antonios-McCrea, William; McBride, Christopher M.; Frazier, Kelly; Wiesmann, Marion; Lapointe, Gena R.; Feucht, Paul H.; Warne, Robert L.; Heise, Carla C.; Menezes, Daniel; Aardalen, Kimberly; Ye, Helen; He, Molly; Le, Vincent; Vora, Jayesh; Jansen, Johanna M.; Wernette-Hammond, Mary Ellen; Harris, Alex L. Journal of Medicinal Chemistry, 2009 , vol. 52, # 2 p. 278 - 292
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Route2
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52054-41-8 - ~84%
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In-stock
19619-22-8
References
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Lamara; Redhouse; Smalley; Thompson Tetrahedron, 1994 , vol. 50, # 18 p. 5515 - 5525
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Route3
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In-stock
4315-09-7 - ~%
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In-stock
19619-22-8
References
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Lamara; Redhouse; Smalley; Thompson Tetrahedron, 1994 , vol. 50, # 18 p. 5515 - 5525
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Safety Information
Download SDS|
GHS Pictogram :
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GHS No : GHS06
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Signal Word : Danger
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UN#: 2811
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Class : 6.1
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Packing Group : Ⅲ
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Hazard Statements : H301-H311-H331
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Precautionary Statements : P264-P270-P330-P405-P501
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Quality Control
Computational Chemistry Data
- TPSA 73.6
- LogP 1.01216
- H_Acceptors 3
- H_Donors 1
- Rotatable_Bonds 0
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