Cas no 99971-87-6 ((2,5-Dichlorothiophen-3-yl)(phenyl)methanone)

(2,5-Dichlorothiophen-3-yl)(phenyl)methanone structure
99971-87-6 structure
Product Name:(2,5-Dichlorothiophen-3-yl)(phenyl)methanone
CAS No:99971-87-6
MF:C11H6Cl2OS
MW:257.135739803314
CID:1092343
PubChem ID:23434092
Update Time:2025-07-26

(2,5-Dichlorothiophen-3-yl)(phenyl)methanone Chemical and Physical Properties

Names and Identifiers

    • (2,5-Dichlorothiophen-3-yl)(phenyl)methanone
    • (2,5-dichlorothiophen-3-yl)-phenylmethanone
    • 99971-87-6
    • DTXSID10634032
    • SCHEMBL6803755
    • NYTHKVNYZJTUCT-UHFFFAOYSA-N
    • 3-Benzoyl-2,5-dichlorothiophene
    • Inchi: 1S/C11H6Cl2OS/c12-9-6-8(11(13)15-9)10(14)7-4-2-1-3-5-7/h1-6H
    • InChI Key: NYTHKVNYZJTUCT-UHFFFAOYSA-N
    • SMILES: ClC1=C(C=C(S1)Cl)C(C1C=CC=CC=1)=O

Computed Properties

  • Exact Mass: 255.9516414g/mol
  • Monoisotopic Mass: 255.9516414g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 2
  • Complexity: 241
  • 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: 4.9
  • Topological Polar Surface Area: 45.3?2

(2,5-Dichlorothiophen-3-yl)(phenyl)methanone Pricemore >>

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Additional information on (2,5-Dichlorothiophen-3-yl)(phenyl)methanone

(2,5-Dichlorothiophen-3-yl)(phenyl)methanone: A Comprehensive Overview

CAS No. 99971-87-6 refers to the chemical compound known as (2,5-dichlorothiophen-3-yl)(phenyl)methanone. This compound is a synthetic organic molecule that has garnered significant attention in recent years due to its potential applications in various fields, including pharmaceuticals, agriculture, and material science.

The structure of (2,5-dichlorothiophen-3-yl)(phenyl)methanone features a thiophene ring substituted with two chlorine atoms at positions 2 and 5, connected to a phenyl group via a methanone linkage. This unique architecture makes it highly versatile and suitable for a wide range of chemical reactions and applications.

Recent studies have highlighted the compound's potential as a valuable building block in susbtitution reactions and coupling reactions. Its ability to participate in these reactions with high efficiency has made it a popular choice among researchers in the field of organic synthesis.

In the realm of pharmacology, (2,5-dichlorothiophen-3-yl)(phenyl)methanone has shown promising properties as a lead compound for drug discovery. Its structural features, including the electron-withdrawing chlorine atoms and the aromatic rings, contribute to its unique pharmacokinetic profile, making it an interesting candidate for anticancer, anti-inflammatory, and antimicrobial applications.

Moreover, this compound has been explored for its role in catalysis. Its robust structure allows it to function as an effective catalyst in various reactions, including cross-coupling and hydroxylation processes. This has positioned it as a valuable tool in the development of sustainable and efficient chemical manufacturing processes.

The compound's applications are not limited to the laboratory setting. It has also found use in the agricultural sector, where its pesticidal and herbicidal properties have been leveraged to develop more effective and environmentally friendly pest control solutions.

In terms of safety and handling, (2,5-dichlorothiophen-3-yl)(phenyl)methanone is generally considered safe for use in controlled environments. However, it is important to adhere to standard safety protocols to ensure the well-being of laboratory personnel and prevent any unintended exposure.

Overall, (2,5-dichlorothiophen-3-yl)(phenyl)methanone stands out as a multifaceted compound with diverse applications across several industries. Its unique structural features, combined with its proven reactivity and versatility, make it an invaluable asset in modern chemical research.

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