Cas no 120691-70-5 (Benzoyl chloride, 4-(chlorodifluoromethoxy)-)

Benzoyl chloride, 4-(chlorodifluoromethoxy)-, is a specialized organic compound featuring a benzoyl chloride core substituted with a chlorodifluoromethoxy group at the para position. This structure imparts unique reactivity, making it valuable as an intermediate in the synthesis of agrochemicals, pharmaceuticals, and advanced materials. The chlorodifluoromethoxy moiety enhances electrophilic character, facilitating efficient acylation reactions. Its stability under controlled conditions ensures consistent performance in demanding applications. The compound is particularly useful in introducing difluoromethoxy-containing groups into target molecules, a feature sought after in medicinal chemistry for its metabolic stability and lipophilicity. Proper handling is essential due to its moisture sensitivity and potential reactivity.
Benzoyl chloride, 4-(chlorodifluoromethoxy)- structure
120691-70-5 structure
Product Name:Benzoyl chloride, 4-(chlorodifluoromethoxy)-
CAS No:120691-70-5
MF:C8H4Cl2F2O2
MW:241.018967628479
MDL:MFCD00995150
CID:3684413
PubChem ID:14401547
Update Time:2025-05-19

Benzoyl chloride, 4-(chlorodifluoromethoxy)- Chemical and Physical Properties

Names and Identifiers

    • Benzoyl chloride, 4-(chlorodifluoromethoxy)-
    • 4-(Chlorodifluoromethoxy)benzoyl chloride, 95%
    • 4-[chloro(difluoro)methoxy]benzoyl chloride
    • 4-(Chlorodifluoromethoxy)benzoyl chloride
    • SCHEMBL10910722
    • 120691-70-5
    • MFCD00995150
    • MDL: MFCD00995150
    • Inchi: 1S/C8H4Cl2F2O2/c9-7(13)5-1-3-6(4-2-5)14-8(10,11)12/h1-4H
    • InChI Key: DLCRKFYWMGVEHT-UHFFFAOYSA-N
    • SMILES: C(Cl)(=O)C1=CC=C(OC(Cl)(F)F)C=C1

Computed Properties

  • Exact Mass: 239.9556411Da
  • Monoisotopic Mass: 239.9556411Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 3
  • Complexity: 215
  • 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: 3.9
  • Topological Polar Surface Area: 26.3?2

Benzoyl chloride, 4-(chlorodifluoromethoxy)- Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
abcr
AB276356-1 g
4-(Chlorodifluoromethoxy)benzoyl chloride, 95%; .
120691-70-5 95%
1g
€299.00 2023-04-26
abcr
AB276356-5 g
4-(Chlorodifluoromethoxy)benzoyl chloride, 95%; .
120691-70-5 95%
5g
€795.00 2023-04-26
abcr
AB276356-1g
4-(Chlorodifluoromethoxy)benzoyl chloride, 95%; .
120691-70-5 95%
1g
€299.00 2025-04-22
abcr
AB276356-5g
4-(Chlorodifluoromethoxy)benzoyl chloride, 95%; .
120691-70-5 95%
5g
€795.00 2025-04-22

Additional information on Benzoyl chloride, 4-(chlorodifluoromethoxy)-

Benzoyl Chloride, 4-(Chlorodifluoromethoxy): A Comprehensive Overview

Benzoyl chloride, 4-(chlorodifluoromethoxy), also known by its CAS number 120691-70-5, is a highly versatile and specialized organic compound. This compound has garnered significant attention in recent years due to its unique chemical properties and wide-ranging applications in various industries. The structure of this compound is characterized by a benzoyl group attached to a chlorodifluoromethoxy substituent, which imparts it with distinctive reactivity and functionality.

The synthesis of benzoyl chloride, 4-(chlorodifluoromethoxy) involves a series of carefully controlled chemical reactions. Recent advancements in synthetic chemistry have enabled the production of this compound with higher purity and efficiency. Researchers have explored various methodologies, including Friedel-Crafts acylation and nucleophilic aromatic substitution, to optimize the synthesis process. These developments have not only improved the yield but also reduced the environmental footprint of its production.

In terms of physical properties, benzoyl chloride, 4-(chlorodifluoromethoxy) exhibits a high melting point and moderate solubility in common organic solvents. Its thermal stability is another notable feature, making it suitable for applications that require exposure to elevated temperatures. The compound's electronic structure, influenced by the electron-withdrawing chlorodifluoromethoxy group, contributes to its reactivity in various chemical transformations.

The applications of benzoyl chloride, 4-(chlorodifluoromethoxy) span across multiple domains. In the pharmaceutical industry, it serves as an intermediate in the synthesis of bioactive molecules. Recent studies have highlighted its potential as a building block for developing novel drug candidates with enhanced pharmacokinetic profiles. Additionally, this compound finds utility in agrochemicals, where it is used to formulate efficient pesticides and herbicides.

In the realm of materials science, benzoyl chloride, 4-(chlorodifluoromethoxy) has been employed as a precursor for advanced polymers and coatings. Its ability to undergo polymerization under specific conditions has opened new avenues for developing high-performance materials with tailored properties. Researchers are actively exploring its potential in creating sustainable materials that meet the growing demand for eco-friendly solutions.

The environmental impact of benzoyl chloride, 4-(chlorodifluoromethoxy) has also been a topic of interest. Studies have shown that its degradation pathways are influenced by both abiotic and biotic factors. Understanding these processes is crucial for minimizing its ecological footprint and ensuring safe handling practices across various industrial applications.

In conclusion, benzoyl chloride, 4-(chlorodifluoromethoxy) stands out as a multifaceted compound with immense potential across diverse fields. Ongoing research continues to uncover new applications and improve its synthesis methods, underscoring its importance in modern chemistry. As industries strive for innovation and sustainability, this compound is poised to play a pivotal role in shaping future advancements.

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