Lot numbers can be found on the outside label of a product:
2-(3,5-Dibromophenyl)acetonitrile
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CAS No. 188347-48-0
- Cat. No. CS-0059720
- Purity≥95%
- MDL No.None
*For research and further manufacturing use only, not for direct human use.
Structure of 188347-48-0
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General Information
- CAS No. 188347-48-0
- Cat. No. CS-0059720
- Purity ≥95%
- MDL No. None
- Storage Store at room temperature
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₈H₅Br₂N
- Molecular Weight 274.94
- Synonym(s) 3,5-Dibromobenzyl cyanide
- SMILES C(C#N)C1=CC(=CC(=C1)Br)Br
Description
2-(3,5-Dibromophenyl)acetonitrile features a brominated aromatic core paired with a nitrile-bearing side chain, enabling direct incorporation into cross-coupling and cyclization reactions. This bench-stable reagent delivers high functional group tolerance and facilitates the synthesis of complex heterocyclic architectures in medicinal chemistry workflows.
Application
2-(3,5-Dibromophenyl)acetonitrile serves as a versatile building block for the synthesis of brominated aromatic scaffolds. Its nitrile group enables facile transformation into carboxylic acids, amides, or aldehydes, while the dibromo substitution pattern supports further functionalization via palladium-catalyzed cross-coupling reactions. The compound exhibits good bench stability and is compatible with standard synthetic workflows in medicinal chemistry and materials science.
Synthesis
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Route1
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74337-30-7 -
143-33-9
- ~%
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In-stock
188347-48-0
References
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WO2004/12731 A1, ; Page/Page column 19 ; WO 2004/012731 A1
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Route2
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In-stock
56908-88-4 -
143-33-9
- ~78%
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In-stock
188347-48-0
References
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Moore, Bradley S.; Walker, Kevin; Tornus, Ingo; Handa, Sandeep; Poralla, Karl; Floss, Heinz G. Journal of Organic Chemistry, 1997 , vol. 62, # 7 p. 2173 - 2185
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Route3
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In-stock
145691-59-4 - ~%
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In-stock
188347-48-0
References
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WO2014/15054 A1, ;
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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-H315-H319-H335
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Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501
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Quality Control
Computational Chemistry Data
- TPSA 23.79
- LogP 3.27768
- H_Acceptors 1
- H_Donors 0
- Rotatable_Bonds 1
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Key Words
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