Lot numbers can be found on the outside label of a product:
m-Cyanobenzamide
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CAS No. 3441-01-8
- Cat. No. CS-0042363
- Purity≥96%
- MDL No.MFCD00017574
*For research and further manufacturing use only, not for direct human use.
Structure of 3441-01-8
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General Information
- CAS No. 3441-01-8
- Cat. No. CS-0042363
- Purity ≥96%
- MDL No. MFCD00017574
- Storage Store at room temperature
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₈H₆N₂O
- Molecular Weight 146.15
- Synonym(s) 3-Cyanobenzamide; benzamide, 3-cyano-
- SMILES O=C(N)C1=CC=CC(C#N)=C1
Description
m-Cyanobenzamide features a para-cyano group flanked by an amide functionality, delivering enhanced electronic modulation and solubility. This combination enables direct integration into pharmaceutical scaffolds and functional materials, offering stability under standard conditions and compatibility with diverse synthetic transformations.
Application
m-Cyanobenzamide serves as a versatile building block in medicinal chemistry, enabling the construction of heterocyclic scaffolds and bioactive molecules through its dual functionality. The cyano group facilitates nucleophilic additions and cyclizations, while the amide moiety provides stability and hydrogen-bonding capacity. Its bench-stable nature and compatibility with standard coupling reactions make it well-suited for iterative synthesis workflows.
Synthesis
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Route1
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In-stock
626-17-5 - ~89%
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In-stock
3441-01-8
References
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Liu, Yong-Mei; He, Lin; Wang, Miao-Miao; Cao, Yong; He, He-Yong; Fan, Kang-Nian ChemSusChem, 2012 , vol. 5, # 8 p. 1392 - 1396
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Route2
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In-stock
1711-11-1 - ~%
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In-stock
3441-01-8
References
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Takeda Chemical Industries, Ltd.; Kusaka, Masami Patent: EP1348706 A1, 2003 ; Location in patent: Page/Page column 53 ;
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Route3
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108-38-3 - ~0%
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In-stock
626-17-5
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In-stock
3441-01-8
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620-22-4
References
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MITSUBISHI GAS CHEMICAL COMPANY, INC. Patent: EP1193247 A2, 2002 ; Location in patent: Page 5-6 ;
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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-H319
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Precautionary Statements : P264-P270-P280-P330-P501
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Quality Control
Computational Chemistry Data
- TPSA 66.88
- LogP 0.65718
- H_Acceptors 2
- H_Donors 1
- Rotatable_Bonds 1
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