Cas no 1261995-80-5 (2-chloro-5-(2-hydroxyphenyl)benzonitrile)

2-Chloro-5-(2-hydroxyphenyl)benzonitrile is a versatile chemical intermediate characterized by its bifunctional aromatic structure, incorporating both chloro and hydroxyl substituents. The compound's benzonitrile core enhances its reactivity, making it valuable in organic synthesis, particularly in the preparation of pharmaceuticals, agrochemicals, and advanced materials. The presence of the hydroxyl group allows for further functionalization, while the chloro substituent offers selective reactivity in cross-coupling reactions. Its stable yet modifiable structure ensures utility in multi-step synthetic routes. The compound is typically handled under controlled conditions due to its sensitivity, and its purity is critical for consistent performance in downstream applications.
2-chloro-5-(2-hydroxyphenyl)benzonitrile structure
1261995-80-5 structure
Product Name:2-chloro-5-(2-hydroxyphenyl)benzonitrile
CAS No:1261995-80-5
MF:C13H8ClNO
MW:229.661722183228
MDL:MFCD18312913
CID:1223360
PubChem ID:53218621
Update Time:2025-10-28

2-chloro-5-(2-hydroxyphenyl)benzonitrile Chemical and Physical Properties

Names and Identifiers

    • 2-chloro-5-(2-hydroxyphenyl)benzonitrile
    • 1261995-80-5
    • 2-(4-CHLORO-3-CYANOPHENYL)PHENOL
    • 2-(4-Chloro-3-cyanophenyl)phenol, 95%
    • 4-Chloro-2'-hydroxy[1,1'-biphenyl]-3-carbonitrile
    • DTXSID70683541
    • MFCD18312913
    • MDL: MFCD18312913
    • Inchi: 1S/C13H8ClNO/c14-12-6-5-9(7-10(12)8-15)11-3-1-2-4-13(11)16/h1-7,16H
    • InChI Key: KDXLQIHJNHKZRS-UHFFFAOYSA-N
    • SMILES: ClC1C=CC(=CC=1C#N)C1C=CC=CC=1O

Computed Properties

  • Exact Mass: 229.029
  • Monoisotopic Mass: 229.029
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 1
  • Complexity: 285
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 4
  • Topological Polar Surface Area: 44A^2

2-chloro-5-(2-hydroxyphenyl)benzonitrile Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
abcr
AB318865-5 g
2-(4-Chloro-3-cyanophenyl)phenol, 95%; .
1261995-80-5 95%
5g
€1159.00 2023-04-26
abcr
AB318865-5g
2-(4-Chloro-3-cyanophenyl)phenol, 95%; .
1261995-80-5 95%
5g
€1159.00 2025-02-21

Additional information on 2-chloro-5-(2-hydroxyphenyl)benzonitrile

Comprehensive Guide to 2-Chloro-5-(2-hydroxyphenyl)benzonitrile (CAS No. 1261995-80-5): Properties, Applications, and Market Insights

2-Chloro-5-(2-hydroxyphenyl)benzonitrile (CAS No. 1261995-80-5) is an organic compound that has garnered significant attention in the fields of pharmaceuticals, agrochemicals, and material science. This compound, characterized by its unique molecular structure featuring a chloro and hydroxyphenyl group attached to a benzonitrile core, exhibits versatile chemical properties that make it valuable for various industrial applications. Researchers and manufacturers are increasingly exploring its potential due to its role as a key intermediate in synthesizing more complex molecules.

The chemical formula of 2-chloro-5-(2-hydroxyphenyl)benzonitrile is C13H8ClNO, with a molecular weight of 229.66 g/mol. Its structure consists of a benzonitrile backbone substituted with a chlorine atom at the 2-position and a 2-hydroxyphenyl group at the 5-position. This arrangement contributes to its reactivity, making it a crucial building block in organic synthesis. The presence of both electron-withdrawing (chloro) and electron-donating (hydroxy) groups allows for diverse chemical transformations, which is why it is frequently used in drug discovery and material design.

One of the most prominent applications of 2-chloro-5-(2-hydroxyphenyl)benzonitrile is in pharmaceutical research. The compound serves as an intermediate in the synthesis of active pharmaceutical ingredients (APIs) for various therapeutic areas, including anti-inflammatory and antimicrobial agents. Its structural features enable modifications that enhance drug efficacy and bioavailability. Additionally, the hydroxyphenyl moiety plays a critical role in binding to biological targets, making it a valuable scaffold in medicinal chemistry.

In agrochemical applications, 2-chloro-5-(2-hydroxyphenyl)benzonitrile is utilized in the development of novel pesticides and herbicides. The chloro and nitrile functional groups contribute to its bioactivity, allowing it to disrupt metabolic pathways in pests and weeds. Recent studies have highlighted its potential in creating environmentally friendly agrochemicals with reduced toxicity, aligning with the growing demand for sustainable farming solutions.

Beyond pharmaceuticals and agrochemicals, 2-chloro-5-(2-hydroxyphenyl)benzonitrile finds use in material science, particularly in the synthesis of advanced polymers and liquid crystals. Its ability to form stable intermediates facilitates the production of high-performance materials with applications in electronics, coatings, and specialty chemicals. Researchers are also investigating its role in organic light-emitting diodes (OLEDs) due to its favorable electronic properties.

The market for 2-chloro-5-(2-hydroxyphenyl)benzonitrile is expanding, driven by increasing demand from the pharmaceutical and agrochemical sectors. Key manufacturers are focusing on optimizing synthesis routes to improve yield and reduce production costs. Additionally, regulatory agencies are emphasizing the need for safer and more efficient chemical processes, prompting innovation in its industrial-scale production.

Recent advancements in synthetic chemistry have led to improved methods for producing 2-chloro-5-(2-hydroxyphenyl)benzonitrile, including catalytic processes that minimize waste and enhance selectivity. These developments are critical for meeting the growing demand while adhering to environmental regulations. Furthermore, collaborations between academic institutions and industry players are accelerating the discovery of new applications for this versatile compound.

For researchers and industry professionals seeking detailed information on 2-chloro-5-(2-hydroxyphenyl)benzonitrile, it is essential to consult reliable sources such as peer-reviewed journals, patent databases, and chemical supplier catalogs. Understanding its physicochemical properties, safety data, and handling guidelines ensures safe and effective utilization in various applications.

In conclusion, 2-chloro-5-(2-hydroxyphenyl)benzonitrile (CAS No. 1261995-80-5) is a multifaceted compound with significant potential across multiple industries. Its unique structural attributes, combined with ongoing research and development efforts, position it as a key player in the future of chemical innovation. Whether in drug discovery, sustainable agriculture, or advanced materials, this compound continues to demonstrate its value as a critical intermediate in modern chemistry.

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