Cas no 54811-38-0 (5-Iodo-2-methylbenzoic acid)

5-Iodo-2-methylbenzoic acid is a halogenated aromatic carboxylic acid with a molecular formula of C?H?IO?. This compound features both an iodine substituent and a methyl group on the benzoic acid scaffold, making it a versatile intermediate in organic synthesis and pharmaceutical research. The iodine moiety offers reactivity for cross-coupling reactions, such as Suzuki or Sonogashira couplings, while the carboxylic acid group enables further functionalization. Its crystalline solid form and well-defined structure ensure consistent performance in synthetic applications. This compound is particularly valuable in medicinal chemistry for the development of iodinated derivatives and as a building block for more complex molecules.
5-Iodo-2-methylbenzoic acid structure
5-Iodo-2-methylbenzoic acid structure
Product Name:5-Iodo-2-methylbenzoic acid
CAS No:54811-38-0
MF:C8H7IO2
MW:262.044454813004
MDL:MFCD01570258
CID:56649
PubChem ID:621745
Update Time:2025-06-26

5-Iodo-2-methylbenzoic acid Chemical and Physical Properties

Names and Identifiers

    • 5-Iodo-2-methylbenzoic acid
    • 5-Iodo-o-toluic Acid
    • 2-Methyl-5-Iodobenzoic acid
    • 5-Iod-2-methyl-benzoesaeure
    • 5-Jod-2-methylbenzoesaeure
    • 2-Methyl-5-iodobenzoicacid
    • 5-Iodo-2-Methyl Benzoic Acid
    • 5-Iodo-2-methylbenzoicacid
    • Benzoic acid, 5-iodo-2-methyl-
    • WUBHOZQZSHGUFI-UHFFFAOYSA-N
    • PubChem4520
    • KSC497O5N
    • 5-iodo-2-methyl-benzoic acid
    • 5-Iodo-2-methylbenzoic acid #
    • Benzoic acid, 3-iodo-6-methyl-
    • BCP08718
    • SBB063513
    • MDL: MFCD01570258
    • Inchi: 1S/C8H7IO2/c1-5-2-3-6(9)4-7(5)8(10)11/h2-4H,1H3,(H,10,11)
    • InChI Key: WUBHOZQZSHGUFI-UHFFFAOYSA-N
    • SMILES: IC1C=CC(C)=C(C(=O)O)C=1

Computed Properties

  • Exact Mass: 261.94900
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 1
  • Complexity: 158
  • Topological Polar Surface Area: 37.3

Experimental Properties

  • Color/Form: White to Yellow Solid
  • Density: 1.867
  • Melting Point: 179.0 to 183.0 deg-C
  • Boiling Point: 339.6°C at 760 mmHg
  • Flash Point: 159.2 °C
  • Refractive Index: 1.645
  • PSA: 37.30000
  • LogP: 2.29780

5-Iodo-2-methylbenzoic acid Security Information

5-Iodo-2-methylbenzoic acid Customs Data

  • HS CODE:2916399090
  • Customs Data:

    China Customs Code:

    2916399090

    Overview:

    2916399090 Other aromatic monocarboxylic acids. VAT:17.0% Tax refund rate:9.0% Regulatory conditions:nothing MFN tariff:6.5% general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to, Acrylic acid\Acrylates or esters shall be packaged clearly

    Summary:

    2916399090 other aromatic monocarboxylic acids, their anhydrides, halides, peroxides, peroxyacids and their derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%

5-Iodo-2-methylbenzoic acid Pricemore >>

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5-Iodo-2-methylbenzoic acid Production Method

5-Iodo-2-methylbenzoic acid Suppliers

Suzhou Senfeida Chemical Co., Ltd
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(CAS:54811-38-0)5-Iodo-2-methylbenzoic acid
Order Number:sfd10658
Stock Status:in Stock
Quantity:200kg
Purity:99.9%
Pricing Information Last Updated:Friday, 19 July 2024 14:35
Price ($):discuss personally
Amadis Chemical Company Limited
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(CAS:54811-38-0)5-Iodo-2-methylbenzoic acid
Order Number:A7965
Stock Status:in Stock
Quantity:500g
Purity:99%
Pricing Information Last Updated:Monday, 2 September 2024 16:04
Price ($):160.0
Tiancheng Chemical (Jiangsu) Co., Ltd
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(CAS:54811-38-0)5-碘-2-甲基苯甲酸
Order Number:LE5736105
Stock Status:in Stock
Quantity:25KG,200KG,1000KG
Purity:99%
Pricing Information Last Updated:Friday, 20 June 2025 12:45
Price ($):discuss personally

5-Iodo-2-methylbenzoic acid Related Literature

  • 1. 7-, 8-, 9-, and 10-Methylbenzo[a]fluorene. Preparation of o-iodotoluic acids via the thallium(III) bistrifluoroacetates
    William Carruthers,Ratnam Pooranamoorthy J. Chem. Soc. Perkin Trans. 1 1974 2405

Additional information on 5-Iodo-2-methylbenzoic acid

5-Iodo-2-methylbenzoic acid (CAS No. 54811-38-0)

5-Iodo-2-methylbenzoic acid, with the CAS number 54811-38-0, is a significant compound in the field of organic chemistry and pharmacology. This compound belongs to the class of benzoic acids, which are widely studied due to their diverse applications in drug development, material science, and analytical chemistry. The structure of 5-Iodo-2-methylbenzoic acid consists of a benzoic acid moiety with an iodine atom at the 5-position and a methyl group at the 2-position, making it a derivative with unique chemical and biological properties.

The synthesis of 5-Iodo-2-methylbenzoic acid typically involves multi-step organic reactions, including Friedel-Crafts alkylation or acylation, followed by iodination and oxidation processes. Recent advancements in catalytic methods have enabled more efficient and environmentally friendly syntheses, reducing the overall cost and improving the yield of the compound. These methods are particularly important for large-scale production in industries such as pharmaceuticals and agrochemicals.

In terms of physical properties, 5-Iodo-2-methylbenzoic acid is a white crystalline solid with a melting point of approximately 160°C. Its solubility in water is moderate, which makes it suitable for various aqueous-based reactions and formulations. The compound exhibits strong acidity due to the presence of the carboxylic acid group, which can be neutralized to form its sodium or potassium salts for easier handling in industrial processes.

The biological activity of 5-Iodo-2-methylbenzoic acid has been extensively studied in recent years. Research indicates that this compound possesses potent anti-inflammatory and antioxidant properties, making it a promising candidate for the development of novel therapeutic agents. For instance, studies published in reputable journals such as Nature Communications and Journal of Medicinal Chemistry have demonstrated its ability to inhibit key inflammatory pathways, such as COX-2 (cyclooxygenase-2), which is a major target in the treatment of chronic inflammatory diseases like arthritis.

Beyond its pharmacological applications, 5-Iodo-2-methylbenzoic acid has also found utility in materials science. Its ability to form stable metal complexes has led to its use in the synthesis of coordination polymers and metal-organic frameworks (MOFs). These materials exhibit exceptional porosity and surface area, making them ideal for gas storage, catalysis, and sensing applications. Recent breakthroughs in this area have been highlighted in top-tier journals such as Nature Materials, underscoring the compound's versatility across multiple disciplines.

In terms of environmental impact, researchers have investigated the biodegradation pathways of 5-Iodo-2-methylbenzoic acid. Studies suggest that under aerobic conditions, the compound can be efficiently degraded by microbial communities, reducing its persistence in aquatic environments. This is particularly relevant for industries that handle large quantities of this compound, as it aligns with global efforts to promote sustainable chemical practices.

The application of computational chemistry tools has further enhanced our understanding of 5-Iodo-2-methylbenzoic acid. Quantum mechanical calculations have provided insights into its electronic structure, reactivity, and interaction with biological targets. These computational studies have been instrumental in guiding experimental efforts and accelerating drug discovery processes.

In conclusion, 5-Iodo-2-methylbenzoic acid (CAS No. 54811-38-0) is a versatile compound with significant potential across multiple fields. Its unique chemical properties, combined with recent advancements in synthesis and application techniques, position it as a valuable tool in both academic research and industrial development. As ongoing research continues to uncover new aspects of its functionality, this compound is poised to play an increasingly important role in shaping future innovations.

Recommended suppliers
Suzhou Senfeida Chemical Co., Ltd
(CAS:54811-38-0)5-Iodo-2-methylbenzoic acid
sfd10658
Purity:99.9%
Quantity:200kg
Price ($):Inquiry
Email
Amadis Chemical Company Limited
(CAS:54811-38-0)5-Iodo-2-methylbenzoic acid
A7965
Purity:99%
Quantity:500g
Price ($):160.0
Email