Cas no 1361716-97-3 (2',5'-Dichloro-2,3,5,6-tetrafluoro-biphenyl-4-carbonitrile)

2',5'-Dichloro-2,3,5,6-tetrafluoro-biphenyl-4-carbonitrile is a fluorinated biphenyl derivative characterized by its unique halogenated structure, combining chloro and fluoro substituents with a nitrile functional group. This compound exhibits high thermal and chemical stability due to its aromatic backbone and strong electron-withdrawing groups, making it suitable for applications in advanced material synthesis and specialty chemistry. Its selective substitution pattern allows for precise reactivity in cross-coupling reactions or as an intermediate in pharmaceutical and agrochemical development. The tetrafluoro and dichloro substitutions enhance its lipophilicity, potentially improving performance in hydrophobic matrices or as a precursor for further functionalization.
2',5'-Dichloro-2,3,5,6-tetrafluoro-biphenyl-4-carbonitrile structure
1361716-97-3 structure
Product Name:2',5'-Dichloro-2,3,5,6-tetrafluoro-biphenyl-4-carbonitrile
CAS No:1361716-97-3
MF:C13H3Cl2F4N
MW:320.069235086441
CID:4991644
Update Time:2025-05-20

2',5'-Dichloro-2,3,5,6-tetrafluoro-biphenyl-4-carbonitrile Chemical and Physical Properties

Names and Identifiers

    • 2',5'-Dichloro-2,3,5,6-tetrafluoro-biphenyl-4-carbonitrile
    • Inchi: 1S/C13H3Cl2F4N/c14-5-1-2-8(15)6(3-5)9-12(18)10(16)7(4-20)11(17)13(9)19/h1-3H
    • InChI Key: WQNIMJKIWANYNT-UHFFFAOYSA-N
    • SMILES: ClC1C=CC(=CC=1C1C(=C(C(C#N)=C(C=1F)F)F)F)Cl

Computed Properties

  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 20
  • Rotatable Bond Count: 1
  • Complexity: 385
  • XLogP3: 4.9
  • Topological Polar Surface Area: 23.8

2',5'-Dichloro-2,3,5,6-tetrafluoro-biphenyl-4-carbonitrile Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
Alichem
A011010348-250mg
2',5'-Dichloro-2,3,5,6-tetrafluoro-biphenyl-4-carbonitrile
1361716-97-3 97%
250mg
484.80 USD 2021-07-04
Alichem
A011010348-500mg
2',5'-Dichloro-2,3,5,6-tetrafluoro-biphenyl-4-carbonitrile
1361716-97-3 97%
500mg
815.00 USD 2021-07-04
Alichem
A011010348-1g
2',5'-Dichloro-2,3,5,6-tetrafluoro-biphenyl-4-carbonitrile
1361716-97-3 97%
1g
1,519.80 USD 2021-07-04

Additional information on 2',5'-Dichloro-2,3,5,6-tetrafluoro-biphenyl-4-carbonitrile

2',5'-Dichloro-2,3,5,6-Tetrafluoro-Biphenyl-4-Carbonitrile: A Comprehensive Overview

2',5'-Dichloro-2,3,5,6-tetrafluoro-biphenyl-4-carbonitrile, also known by its CAS number 1361716-97-3, is a highly specialized organic compound with a complex structure and diverse applications. This compound belongs to the class of biphenyl derivatives, characterized by two phenyl rings connected by a single bond. The presence of multiple halogen substituents—chlorine and fluorine atoms—along with a cyano group (-CN) at the 4-position of the biphenyl system, imparts unique chemical and physical properties to this molecule.

The molecular structure of 2',5'-Dichloro-2,3,5,6-tetrafluoro-biphenyl-4-carbonitrile is highly symmetrical due to the substitution pattern on both phenyl rings. The chlorine atoms are located at the 2' and 5' positions of one phenyl ring, while the fluorine atoms occupy the 2, 3, 5, and 6 positions of the other ring. This arrangement not only enhances the stability of the molecule but also contributes to its electronic properties. The cyano group at the 4-position further modifies the electronic characteristics, making this compound suitable for various advanced applications.

Recent studies have highlighted the potential of 2',5'-Dichloro-2,3,5,6-tetrafluoro-biphenyl-4-carbonitrile in the field of materials science. Researchers have explored its use as a precursor for synthesizing advanced polymers and high-performance materials. The compound's ability to undergo various chemical reactions, such as nucleophilic substitution and coupling reactions, has made it a valuable building block in organic synthesis.

In terms of physical properties, 2',5'-Dichloro-2,3,5,6-tetrafluoro-biphenyl-4-carbonitrile exhibits a high melting point due to its rigid structure and strong intermolecular forces. Its solubility in organic solvents is moderate, which makes it suitable for solution-based chemical processes. The compound is also thermally stable up to relatively high temperatures, making it ideal for applications that require heat resistance.

The synthesis of 2',5'-Dichloro-2,3,5,6-tetrafluoro-biphenyl-4-carbonitrile involves a multi-step process that typically starts with chlorination or fluorination of biphenyl derivatives. Recent advancements in catalytic methods have enabled more efficient and selective synthesis pathways. For instance, the use of transition metal catalysts has significantly improved the yield and purity of this compound in laboratory settings.

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