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CS-W001157 4
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2-Methyl-[1,1'-biphenyl]-4,4'-dicarboxylic acid

  • CAS No. 1186048-28-1

  • Cat. No. CS-0170271
  • Purity≥98%
  • MDL No.MFCD18320269

*For research and further manufacturing use only, not for direct human use.

2-Methyl-[1,1'-biphenyl]-4,4'-dicarboxylic acid|CS-0170271

Structure of 1186048-28-1

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General Information

  • CAS No. 1186048-28-1
  • Cat. No. CS-0170271
  • Purity ≥98%
  • MDL No. MFCD18320269
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₅H₁₂O₄
  • Molecular Weight 256.26
  • Synonym(s) 4-(4-Carboxyphenyl)-3-Methylbenzoic acid
  • SMILES O=C(O)C=1C=CC(=CC1)C2=CC=C(C=C2C)C(=O)O

Description

2-Methyl-[1,1'-biphenyl]-4,4'-dicarboxylic acid features two carboxylic acid groups positioned at the para-positions of a biphenyl core, flanked by a methyl substituent on one phenyl ring. This arrangement imparts enhanced solubility and steric modulation, enabling efficient coordination in metal-organic frameworks and serving as a robust building block for conjugated polymers and functional materials.

Application

2-Methyl-[1,1'-biphenyl]-4,4'-dicarboxylic acid serves as a versatile building block for the synthesis of functionalized biphenyl scaffolds in medicinal chemistry and materials science. Its dual carboxylic acid groups enable facile coupling reactions via amide, ester, or imide formation, while the methyl substituent provides steric and electronic modulation. The molecule exhibits good bench stability and is compatible with standard purification methods, facilitating integration into multi-step syntheses requiring orthogonal functional group handling.

Safety Information

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GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501

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Computational Chemistry Data

  • TPSA   74.6
  • LogP   3.05842
  • H_Acceptors   2
  • H_Donors   2
  • Rotatable_Bonds   3

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