Lot numbers can be found on the outside label of a product:
3-Cyanobenzenesulfonamide
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CAS No. 3118-68-1
- Cat. No. CS-W017115
- Purity≥97%
- MDL No.MFCD02089633
*For research and further manufacturing use only, not for direct human use.
Structure of 3118-68-1
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General Information
- CAS No. 3118-68-1
- Cat. No. CS-W017115
- Purity ≥97%
- MDL No. MFCD02089633
- Storage Store at room temperature
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₇H₆N₂O₂S
- Molecular Weight 182.20
- Synonym(s) Benzenesulfonamide, 3-cyano-
- SMILES NS(=O)(=O)C1=CC(=CC=C1)C#N
Description
3-Cyanobenzenesulfonamide features a sulfonamide group directly attached to a benzene ring bearing a para-cyano substituent. This electron-deficient aromatic scaffold enables robust integration into bioactive molecule design, particularly in kinase inhibitor development and pharmaceutical scaffolding. The compound exhibits enhanced solubility profiles and stability under standard bench conditions, facilitating reliable handling in synthetic workflows.
Application
3-Cyanobenzenesulfonamide serves as a versatile building block in medicinal chemistry, enabling the construction of heterocyclic scaffolds through nucleophilic substitution and cycloaddition reactions. Its dual functionality—electron-withdrawing cyano and sulfonamide groups—provides excellent regioselectivity and stability under standard synthetic conditions, facilitating efficient derivatization and purification. The compound exhibits robust bench stability and compatibility with diverse reaction environments, making it well-suited for high-throughput synthesis and process development.
Synthesis
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Route1
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In-stock
56542-67-7 - ~99%
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In-stock
3118-68-1
References
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BIOFOCUS DPI LIMITED Patent: WO2009/24585 A2, 2009 ; Location in patent: Page/Page column 77 ;
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Route2
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2237-30-1 - ~%
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In-stock
3118-68-1
References
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Collection of Czechoslovak Chemical Communications, , vol. 49, # 5 p. 1182 - 1192
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Route3
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143-33-9
- ~%
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In-stock
3118-68-1
References
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Australian Journal of Scientific Research, Series A: Physical Sciences, , vol. 3, p. 461,463
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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 83.95
- LogP 0.20568
- H_Acceptors 3
- H_Donors 1
- Rotatable_Bonds 1
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Key Words
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