Cas no 461045-15-8 (4-(3-chloro-4-hydroxyphenyl)benzonitrile)

4-(3-Chloro-4-hydroxyphenyl)benzonitrile is a versatile organic compound characterized by its chloro- and hydroxyl-substituted aromatic structure. This benzonitrile derivative is valued for its role as an intermediate in pharmaceutical and agrochemical synthesis, particularly in the development of active ingredients. The presence of both electron-withdrawing (chloro) and electron-donating (hydroxy) groups on the phenyl ring enhances its reactivity, enabling selective functionalization in cross-coupling reactions. Its crystalline solid form and defined purity make it suitable for precise applications in research and industrial processes. The compound’s stability under standard conditions further ensures consistent performance in synthetic workflows.
4-(3-chloro-4-hydroxyphenyl)benzonitrile structure
461045-15-8 structure
Product Name:4-(3-chloro-4-hydroxyphenyl)benzonitrile
CAS No:461045-15-8
MF:C13H8ClNO
MW:229.661722183228
MDL:MFCD11036167
CID:1517488
PubChem ID:22994527
Update Time:2025-08-05

4-(3-chloro-4-hydroxyphenyl)benzonitrile Chemical and Physical Properties

Names and Identifiers

    • 4-(3-chloro-4-hydroxyphenyl)benzonitrile
    • 461045-15-8
    • DTXSID50629427
    • MFCD11036167
    • 3'-Chloro-4'-hydroxy[1,1'-biphenyl]-4-carbonitrile
    • DEXDMUWWVCTJRU-UHFFFAOYSA-N
    • 2-Chloro-4-(4-cyanophenyl)phenol, 95%
    • SCHEMBL7222655
    • 3'-chloro-4'-hydroxy-1,1'-biphenyl-4-carbonitrile
    • 2-CHLORO-4-(4-CYANOPHENYL)PHENOL
    • MDL: MFCD11036167
    • Inchi: 1S/C13H8ClNO/c14-12-7-11(5-6-13(12)16)10-3-1-9(8-15)2-4-10/h1-7,16H
    • InChI Key: DEXDMUWWVCTJRU-UHFFFAOYSA-N
    • SMILES: ClC1=C(C=CC(=C1)C1C=CC(C#N)=CC=1)O

Computed Properties

  • Exact Mass: 229.0294416g/mol
  • Monoisotopic Mass: 229.0294416g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 1
  • Complexity: 277
  • 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: 3.5
  • Topological Polar Surface Area: 44?2

4-(3-chloro-4-hydroxyphenyl)benzonitrile Pricemore >>

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AB321636-5 g
2-Chloro-4-(4-cyanophenyl)phenol, 95%; .
461045-15-8 95%
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€1159.00 2023-04-26
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AB321636-5g
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4-(3-chloro-4-hydroxyphenyl)benzonitrile Suppliers

Amadis Chemical Company Limited
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(CAS:461045-15-8)4-(3-chloro-4-hydroxyphenyl)benzonitrile
Order Number:A1184234
Stock Status:in Stock
Quantity:5g
Purity:99%
Pricing Information Last Updated:Friday, 30 August 2024 01:54
Price ($):687.0

Additional information on 4-(3-chloro-4-hydroxyphenyl)benzonitrile

4-(3-Chloro-4-Hydroxyphenyl)Benzonitrile: A Comprehensive Overview

The compound with CAS No. 461045-15-8, commonly referred to as 4-(3-chloro-4-hydroxyphenyl)benzonitrile, is a significant molecule in the field of organic chemistry. This compound has garnered attention due to its unique structural properties and potential applications in various industries. In this article, we will delve into its chemical characteristics, synthesis methods, and recent advancements in its utilization across different sectors.

4-(3-Chloro-4-Hydroxyphenyl)Benzonitrile is an aromatic compound featuring a benzonitrile group attached to a chlorophenol moiety. The presence of both hydroxyl and cyano groups introduces interesting electronic properties, making it a versatile building block for further chemical modifications. Recent studies have highlighted its role in drug discovery, where its ability to act as a ligand in metalloenzyme inhibition has been explored. This compound's structure allows for potential interactions with biological targets, making it a promising candidate in medicinal chemistry.

The synthesis of 4-(3-chloro-4-hydroxyphenyl)benzonitrile typically involves multi-step reactions, often utilizing coupling agents or transition metal catalysts. Researchers have optimized these methods to improve yield and purity, ensuring scalability for industrial applications. One notable advancement is the use of microwave-assisted synthesis, which has significantly reduced reaction times while maintaining product quality.

In terms of applications, 4-(3-chloro-4-hydroxyphenyl)benzonitrile has found utility in the development of advanced materials. Its cyano group imparts strong electron-withdrawing properties, which are advantageous in the creation of conductive polymers and high-performance composites. Recent breakthroughs in nanotechnology have leveraged this compound's electronic characteristics to enhance the efficiency of organic light-emitting diodes (OLEDs), demonstrating its potential in the electronics industry.

Environmental scientists have also taken interest in 4-(3-chloro-4-hydroxyphenyl)benzonitrile due to its role as a precursor in biodegradable polymers. These polymers offer sustainable alternatives to traditional plastics, addressing pressing environmental concerns. The compound's ability to undergo controlled polymerization under mild conditions makes it an eco-friendly choice for material scientists.

Moreover, 4-(3-chloro-4-hydroxyphenyl)benzonitrile has been investigated for its pharmacological properties. Preclinical studies suggest that it exhibits anti-inflammatory and antioxidant activities, which could be harnessed for therapeutic purposes. Its structural flexibility allows for further functionalization to target specific biological pathways, opening new avenues for drug development.

In conclusion, 4-(3-chloro-4-hydroxyphenyl)benzonitrile (CAS No. 461045-15-8) is a multifaceted compound with diverse applications across chemistry and materials science. Its unique structure and reactivity continue to drive innovative research, positioning it as a key player in the development of advanced materials and therapeutic agents. As ongoing studies uncover new potentials, this compound is poised to make significant contributions to various scientific domains.

Recommended suppliers
Amadis Chemical Company Limited
(CAS:461045-15-8)4-(3-chloro-4-hydroxyphenyl)benzonitrile
A1184234
Purity:99%
Quantity:5g
Price ($):687.0
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