Cas no 54811-38-0 (5-Iodo-2-methylbenzoic acid)
5-Iodo-2-methylbenzoic acid Chemical and Physical Properties
Names and Identifiers
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- 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
-
Symbol:
- Prompt:warning
- Signal Word:Warning
- Hazard Statement: H315-H319
- Warning Statement: P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
- Storage Condition:Keep in dark place,Sealed in dry,2-8°C
5-Iodo-2-methylbenzoic acid Customs Data
- HS CODE:2916399090
- Customs Data:
China Customs Code:
2916399090Overview:
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 >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| NAN JING HUA XUE SHI JI GU FEN Co., Ltd. | C0685989467- 1g |
5-Iodo-2-methylbenzoic acid |
54811-38-0 | 98% | 1g |
¥ 141.2 | 2021-05-18 | |
| NAN JING HUA XUE SHI JI GU FEN Co., Ltd. | C0685989451- 5g |
5-Iodo-2-methylbenzoic acid |
54811-38-0 | 98% | 5g |
¥ 264.7 | 2021-05-18 | |
| Fluorochem | 038168-5g |
5-Iodo-2-methylbenzoic acid |
54811-38-0 | 98% | 5g |
£10.00 | 2022-03-01 | |
| Fluorochem | 038168-10g |
5-Iodo-2-methylbenzoic acid |
54811-38-0 | 98% | 10g |
£16.00 | 2022-03-01 | |
| Fluorochem | 038168-25g |
5-Iodo-2-methylbenzoic acid |
54811-38-0 | 98% | 25g |
£32.00 | 2022-03-01 | |
| Fluorochem | 038168-1kg |
5-Iodo-2-methylbenzoic acid |
54811-38-0 | 98% | 1kg |
£886.00 | 2022-03-01 | |
| SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd. | I157661-25G |
5-Iodo-2-methylbenzoic acid |
54811-38-0 | ≥98.0% | 25g |
¥116.90 | 2023-09-02 | |
| SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd. | I157661-5G |
5-Iodo-2-methylbenzoic acid |
54811-38-0 | ≥98.0% | 5g |
¥29.90 | 2023-09-02 | |
| SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd. | I157661-100g |
5-Iodo-2-methylbenzoic acid |
54811-38-0 | ≥98.0% | 100g |
¥371.90 | 2023-09-02 | |
| Chemenu | CM101869-500g |
5-iodo-2-methylbenzoic acid |
54811-38-0 | 95+% | 500g |
$156 | 2021-06-17 |
5-Iodo-2-methylbenzoic acid Suppliers
5-Iodo-2-methylbenzoic acid Related Literature
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1. 7-, 8-, 9-, and 10-Methylbenzo[a]fluorene. Preparation of o-iodotoluic acids via the thallium(III) bistrifluoroacetatesWilliam 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.
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