Lot numbers can be found on the outside label of a product:
Pyrazine-2-carbonitrile
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CAS No. 19847-12-2
- Cat. No. CS-W008971
- Purity≥98%
- MDL No.MFCD00049361
*For research and further manufacturing use only, not for direct human use.
Structure of 19847-12-2
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General Information
- CAS No. 19847-12-2
- Cat. No. CS-W008971
- Purity ≥98%
- MDL No. MFCD00049361
- Storage 4°C
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₅H₃N₃
- Molecular Weight 105.10
- Synonym(s) None
- SMILES N#CC1=NC=CN=C1
Description
Pyrazine-2-carbonitrile features a heteroaromatic pyrazine core with a nitrile group at the 2-position, delivering high electron deficiency and enhanced stability. This configuration enables direct incorporation into conjugated systems, facilitating efficient coupling reactions in synthetic methodologies. The compound serves as a robust building block for functionalized materials and pharmaceutical intermediates under standard conditions.
Application
Pyrazine-2-carbonitrile serves as a versatile heterocyclic building block for medicinal chemistry and materials science, enabling efficient access to functionalized pyrazine scaffolds. Its dual electron-deficient nitrogen atoms and reactive nitrile group facilitate nucleophilic substitution, transition-metal-catalyzed coupling, and cyclization reactions. The compound exhibits good bench stability and compatibility with standard purification methods, making it well-suited for iterative synthesis workflows in API development and advanced material design.
Synthesis
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Route1
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In-stock
98-96-4 - ~85%
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In-stock
19847-12-2
References
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Opletalova, Veronika; Patel, Asmita; Boulton, Michael; Dundrova, Alice; Lacinova, Eva; Prevorova, Marta; Appeltauerov, Martina; Coufalova, Milada Collection of Czechoslovak Chemical Communications, 1996 , vol. 61, # 7 p. 1093 - 1101
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Route2
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In-stock
14508-49-7 -
557-21-1 - ~72%
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In-stock
19847-12-2
References
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Littke, Adam; Soumeillant, Maxime; Kaltenbach III, Robert F.; Cherney, Robert J.; Tarby, Christine M.; Kiau, Susanne Organic Letters, 2007 , vol. 9, # 9 p. 1711 - 1714
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Route3
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In-stock
109-08-0 - ~94%
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In-stock
19847-12-2
References
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Degussa Aktiengesellschaft Patent: US4496729 A1, 1985 ;
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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-H335
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Precautionary Statements : P261-P264-P271-P280-P302+P352-P304+P340-P362+P364-P405-P501
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Quality Control
Computational Chemistry Data
- TPSA 49.57
- LogP 0.34828
- H_Acceptors 3
- H_Donors 0
- Rotatable_Bonds 0
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