Cas no 1049036-18-1 (2',5'-Dichlorobiphenyl-3-carboxylic Acid)

2',5'-Dichlorobiphenyl-3-carboxylic Acid is a chlorinated biphenyl derivative featuring carboxylic acid functionality at the 3-position and chlorine substituents at the 2' and 5' positions. This compound is primarily utilized as an intermediate in organic synthesis, particularly in the development of specialty chemicals and pharmaceuticals. Its structural properties make it valuable for constructing complex molecular frameworks, including ligands or substrates for catalytic reactions. The dichloro substitution pattern enhances its reactivity in electrophilic aromatic substitution or cross-coupling reactions. With high purity and consistent quality, it is suitable for research and industrial applications requiring precise chemical modifications. Proper handling is advised due to potential hazards associated with halogenated aromatic compounds.
2',5'-Dichlorobiphenyl-3-carboxylic Acid structure
1049036-18-1 structure
Product Name:2',5'-Dichlorobiphenyl-3-carboxylic Acid
CAS No:1049036-18-1
MF:C13H8Cl2O2
MW:267.107421875
MDL:MFCD11574811
CID:856346
Update Time:2026-04-29

2',5'-Dichlorobiphenyl-3-carboxylic Acid Chemical and Physical Properties

Names and Identifiers

    • 2,5-DICHLOROBIPHENYL-3-CARBOXYLIC ACID
    • 2',5'-Dichloro-[1,1'-biphenyl]-3-carboxylic acid
    • 2',5'-Dichlorobiphenyl-3-carboxylic acid
    • 2',5'-Dichlorobiphenyl-3-carboxylic Acid
    • MDL: MFCD11574811
    • Inchi: InChI=1S/C13H8Cl2O2/c14-10-4-5-12(15)11(7-10)8-2-1-3-9(6-8)13(16)17/h1-7H,(H,16,17)
    • InChI Key: DSHFQBLSASSQRC-UHFFFAOYSA-N
    • SMILES: C1=CC(=CC(=C1)C(=O)O)C2=C(C=CC(=C2)Cl)Cl

Computed Properties

  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 2

Experimental Properties

  • Density: 1.397±0.06 g/cm3 (20 oC 760 Torr),
  • Solubility: Insuluble (9.6E-3 g/L) (25 oC),

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Additional information on 2',5'-Dichlorobiphenyl-3-carboxylic Acid

2',5'-Dichlorobiphenyl-3-carboxylic Acid: A Comprehensive Overview

2',5'-Dichlorobiphenyl-3-carboxylic Acid, with the CAS number 1049036-18-1, is a compound of significant interest in various scientific and industrial applications. This compound belongs to the class of biphenyl carboxylic acids, which are widely studied for their unique chemical properties and potential uses in materials science, pharmacology, and environmental chemistry. The structure of 2',5'-Dichlorobiphenyl-3-carboxylic Acid consists of a biphenyl ring system with chlorine substituents at the 2' and 5' positions and a carboxylic acid group at the 3 position. This arrangement imparts specific electronic and steric properties to the molecule, making it a valuable compound for research and development.

The synthesis of 2',5'-Dichlorobiphenyl-3-carboxylic Acid typically involves multi-step organic reactions, often starting from chlorobenzene derivatives. Recent advancements in synthetic methodologies have enabled researchers to achieve higher yields and better purity levels, which are critical for its application in sensitive fields such as drug discovery. The compound's stability under various conditions has been extensively studied, with findings indicating moderate thermal stability and resistance to oxidative degradation. These properties make it suitable for use in high-temperature industrial processes or as a precursor in the synthesis of more complex molecules.

In terms of applications, 2',5'-Dichlorobiphenyl-3-carboxylic Acid has shown promise in several areas. In materials science, it is being explored as a building block for advanced polymers and organic semiconductors due to its ability to form stable π-conjugated systems. Researchers have reported that incorporating this compound into polymer frameworks can enhance electrical conductivity without compromising mechanical strength. Additionally, its role in drug design is gaining traction, particularly in the development of novel antibiotics and anticancer agents. The carboxylic acid group provides a site for functionalization, allowing chemists to attach bioactive moieties that target specific cellular pathways.

Recent studies have also highlighted the environmental implications of 2',5'-Dichlorobiphenyl-3-carboxylic Acid. While it is not classified as a hazardous substance under current regulations, its persistence in certain ecosystems has raised concerns about long-term ecological effects. Environmental scientists are investigating its biodegradation pathways and assessing its potential to accumulate in food chains. Preliminary findings suggest that microbial degradation plays a significant role in reducing its concentration in natural habitats, but further research is needed to fully understand its environmental fate.

The toxicological profile of 2',5'-Dichlorobiphenyl-3-carboxylic Acid has been another area of active research. Acute toxicity studies indicate low toxicity when administered at typical exposure levels, but chronic exposure effects remain under investigation. Regulatory bodies are closely monitoring these studies to ensure that any future commercial applications comply with safety standards.

In conclusion, 2',5'-Dichlorobiphenyl-3-carboxylic Acid (CAS No: 1049036-18-1) is a versatile compound with diverse applications across multiple disciplines. Its unique chemical structure and favorable properties make it an attractive candidate for both academic research and industrial development. As ongoing studies continue to uncover new insights into its behavior and potential uses, this compound is poised to play an increasingly important role in advancing scientific knowledge and technological innovation.

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