Lot numbers can be found on the outside label of a product:
Hexane-1,3,6-tricarbonitrile
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CAS No. 1772-25-4
- Cat. No. CS-0198995
- Purity≥98%
- MDL No.None
*For research and further manufacturing use only, not for direct human use.
Structure of 1772-25-4
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General Information
- CAS No. 1772-25-4
- Cat. No. CS-0198995
- Purity ≥98%
- MDL No. None
- Storage Store at room temperature
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₉H₁₁N₃
- Molecular Weight 161.20
- Synonym(s) 4-Cyanosuberonitrile
- SMILES C(CC#N)CC(CCC#N)C#N
Description
Hexane-1,3,6-tricarbonitrile features three nitrile groups positioned at terminal carbons of a linear hexane chain, enabling high functionality in polymer crosslinking and molecular scaffold design. This trifunctional architecture supports efficient coupling reactions under mild conditions, offering robust performance in synthetic organic chemistry workflows.
Application
Hexane-1,3,6-tricarbonitrile serves as a versatile tri-functional building block for the synthesis of heterocyclic scaffolds and macrocyclic architectures. Its three nitrile groups enable sequential functionalization or cyclization reactions under mild conditions, facilitating access to nitrogen-rich frameworks relevant in medicinal chemistry. The molecule exhibits good bench stability and ease of purification, making it suitable for multi-step synthetic sequences and scale-up applications.
Synthesis
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Route1
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107-13-1 -
In-stock
2941-23-3 - ~69%
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In-stock
1772-25-4
References
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Schelhaas, Michael; Jautelat, Manfred Patent: US2002/7081 A1, 2002 ;
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Route2
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111-69-3
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In-stock
865-47-4 -
107-13-1
- ~43%
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In-stock
1772-25-4
References
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Schelhaas, Michael; Jautelat, Manfred Patent: US2002/7081 A1, 2002 ;
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Route3
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107-13-1
- ~%
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In-stock
1772-25-4
References
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Baizer,M.M.; Anderson,J.D. Journal of Organic Chemistry, 1965 , vol. 30, p. 1351 - 1356
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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#: 3276
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Class : 6.1
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Packing Group : Ⅲ
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Hazard Statements : H227-H301+H311+H331-H315-H319
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Precautionary Statements : P210-P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P361+P364-P362+P364-P370+P378-P403-P405-P501
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Quality Control
Computational Chemistry Data
- TPSA 71.37
- LogP 2.12384
- H_Acceptors 3
- H_Donors 0
- Rotatable_Bonds 5
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Key Words
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