Cas no 886499-25-8 (Benzoic acid, 2-formyl-5-iodo-)

Benzoic acid, 2-formyl-5-iodo-, is a versatile aromatic compound featuring both a formyl (–CHO) and an iodo (–I) substituent on the benzoic acid framework. This structure makes it a valuable intermediate in organic synthesis, particularly for constructing complex molecules through cross-coupling reactions, such as Suzuki or Sonogashira couplings, due to the reactivity of the iodine moiety. The formyl group further enhances its utility as a precursor for aldehydes or other functionalized derivatives. Its well-defined reactivity and stability under various conditions make it suitable for pharmaceutical, agrochemical, and materials science applications. The compound is typically handled under standard laboratory conditions, ensuring consistent performance in synthetic workflows.
Benzoic acid, 2-formyl-5-iodo- structure
886499-25-8 structure
Product Name:Benzoic acid, 2-formyl-5-iodo-
CAS No:886499-25-8
MF:C8H5IO3
MW:276.027974843979
MDL:MFCD06739599
CID:625477
PubChem ID:7176212
Update Time:2025-10-25

Benzoic acid, 2-formyl-5-iodo- Chemical and Physical Properties

Names and Identifiers

    • Benzoic acid, 2-formyl-5-iodo-
    • 2-formyl-5-iodobenzoic acid
    • 2-formyl-5-iodo-benzoic Acid
    • AKOS005209315
    • DTXSID20428348
    • 2-formyl-5-iodobenzoicacid
    • 886499-25-8
    • MDL: MFCD06739599
    • Inchi: 1S/C8H5IO3/c9-6-2-1-5(4-10)7(3-6)8(11)12/h1-4H,(H,11,12)
    • InChI Key: FWROVMGDQOJNKM-UHFFFAOYSA-N
    • SMILES: IC1C=CC(C=O)=C(C(=O)O)C=1

Computed Properties

  • Exact Mass: 275.92834g/mol
  • Monoisotopic Mass: 275.92834g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 2
  • Complexity: 193
  • 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: 1.7
  • Topological Polar Surface Area: 54.4?2

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Benzoic acid, 2-formyl-5-iodo- Related Literature

Additional information on Benzoic acid, 2-formyl-5-iodo-

Benzoic Acid, 2-Formyl-5-Iodo-

The compound Benzoic acid, 2-formyl-5-iodo (CAS No. 886499-25-8) is a highly specialized aromatic compound with significant applications in various fields of chemistry and materials science. This compound is characterized by its unique structure, which includes a benzoic acid backbone with a formyl group at the 2-position and an iodine atom at the 5-position. The presence of these functional groups imparts distinctive chemical and physical properties to the molecule, making it a valuable substrate for further chemical modifications and applications.

Benzoic acid, 2-formyl-5-iodo has been extensively studied in recent years due to its potential in organic synthesis and material science. Researchers have explored its role as a building block for constructing complex molecules with tailored functionalities. For instance, the formyl group at the 2-position can undergo various reactions such as oxidation, reduction, or condensation, enabling the synthesis of diverse derivatives. Similarly, the iodine atom at the 5-position can serve as a leaving group or participate in coupling reactions, further expanding the scope of its applications.

One of the most notable advancements involving Benzoic acid, 2-formyl-5-iodo is its use in the development of advanced materials for optoelectronic devices. Recent studies have demonstrated that derivatives of this compound can exhibit excellent photovoltaic properties when incorporated into organic solar cells. The iodine atom's electron-withdrawing nature enhances the molecule's ability to absorb light across a broad spectrum, while the formyl group contributes to charge transport properties. These characteristics make Benzoic acid, 2-formyl-5-iodo derivatives promising candidates for next-generation solar cell technologies.

In addition to its role in materials science, Benzoic acid, 2-formyl-5-iodo has also found applications in medicinal chemistry. Its structure serves as a scaffold for designing bioactive molecules with potential therapeutic effects. For example, researchers have synthesized analogs of this compound that exhibit anti-inflammatory and anticancer activities. The iodine atom's presence allows for precise control over the molecule's pharmacokinetic properties, while the formyl group can be modified to enhance bioavailability and target specificity.

The synthesis of Benzoic acid, 2-formyl-5-iodo typically involves multi-step organic reactions that require precise control over reaction conditions. One common approach involves the iodination of a substituted benzoic acid derivative followed by formylation at the appropriate position. Recent advancements in catalytic methods have enabled more efficient and selective syntheses of this compound, reducing production costs and improving yields.

From an environmental perspective, Benzoic acid, 2-formyl-5-iodo has been evaluated for its biodegradability and eco-friendly properties. Studies indicate that under specific conditions, this compound can undergo microbial degradation without releasing harmful byproducts. This makes it a more sustainable option compared to traditional synthetic compounds used in similar applications.

In conclusion, Benzoic acid, 2-formyl-5-iodo (CAS No. 886499-25-8) is a versatile compound with wide-ranging applications in organic synthesis, materials science, and medicinal chemistry. Its unique structure and functional groups provide researchers with ample opportunities to explore new chemical transformations and develop innovative materials. As ongoing research continues to uncover its full potential, this compound is poised to play an increasingly important role in advancing modern science and technology.

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