Lot numbers can be found on the outside label of a product:
[1,1'-Biphenyl]-3,3'-dicarboxylic acid
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CAS No. 612-87-3
- Cat. No. CS-0110270
- Purity≥97%
- MDL No.MFCD00845987
*For research and further manufacturing use only, not for direct human use.
![[1,1'-Biphenyl]-3,3'-dicarboxylic acid|CS-0110270](https://file.chemscene.com/productPIC/CS-0110270.gif)
Structure of 612-87-3
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General Information
- CAS No. 612-87-3
- Cat. No. CS-0110270
- Purity ≥97%
- MDL No. MFCD00845987
- Storage Store at room temperature
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₁₄H₁₀O₄
- Molecular Weight 242.23
- Synonym(s) m,m'-Dicarboxybiphenyl
- SMILES O=C(O)C=1C=CC=C(C1)C=2C=CC=C(C2)C(=O)O
Description
1,1'-Biphenyl]-3,3'-dicarboxylic acid features a rigid biphenyl scaffold with carboxylic acid groups at the 3- and 3'-positions, enabling robust coordination in metal-organic frameworks. This structure imparts high thermal stability and facilitates directional assembly through dual anionic binding sites, ideal for constructing functional porous materials.
Application
[1,1'-Biphenyl]-3,3'-dicarboxylic acid serves as a versatile building block for constructing rigid, biphenyl-linked scaffolds in medicinal chemistry and materials science. Its ortho-disubstituted carboxylic acid functionality enables efficient coupling reactions via esterification, amidation, or direct activation for amide bond formation. The molecule exhibits good bench stability, facilitates straightforward purification by recrystallization, and provides a well-defined, planar framework suitable for exploring structure–activity relationships in drug discovery and functional polymer development.
Synthesis
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Route1
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In-stock
![Dimethyl [1,1'-biphenyl]-3,3'-dicarboxylate|CS-0181055](https://file.chemscene.com/productPIC/CS-0181055.gif)
1751-97-9 - ~96%
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In-stock
612-87-3
References
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Kusuma, Bhaskar Reddy; Peterson, Laura B.; Zhao, Huiping; Vielhauer, George; Holzbeierlein, Jeffrey; Blagg, Brian S. J. Journal of Medicinal Chemistry, 2011 , vol. 54, # 18 p. 6234 - 6253
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Route2
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In-stock
612-75-9 - ~%
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In-stock
612-87-3
References
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Woods et al. Journal of the American Chemical Society, 1950 , vol. 72, p. 3221,3225, 3226
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Route3
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16400-51-4 - ~%
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In-stock
612-87-3
References
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Snyder; Weaver; Marshall Journal of the American Chemical Society, 1949 , vol. 71, p. 289
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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-P330-P362+P364-P405-P501
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Quality Control
Computational Chemistry Data
- TPSA 74.6
- LogP 2.75
- H_Acceptors 2
- H_Donors 2
- Rotatable_Bonds 3
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Key Words
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