Cas no 100130-55-0 (Benzaldehyde, 2-iodo-3-methyl-)
Benzaldehyde, 2-iodo-3-methyl- Chemical and Physical Properties
Names and Identifiers
-
- Benzaldehyde, 2-iodo-3-methyl-
- 2-iodo-3-methylbenzaldehyde
- G75436
- SCHEMBL12002284
- 2-Iodo-3-methyl-benzaldehyde
- DTXSID80760736
- 100130-55-0
-
- Inchi: 1S/C8H7IO/c1-6-3-2-4-7(5-10)8(6)9/h2-5H,1H3
- InChI Key: QPABLNRXTZXEIQ-UHFFFAOYSA-N
- SMILES: IC1C(C=O)=CC=CC=1C
Computed Properties
- Exact Mass: 245.95371
- Monoisotopic Mass: 245.95416g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 10
- Rotatable Bond Count: 1
- Complexity: 124
- 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: 2.4
- Topological Polar Surface Area: 17.1?2
Experimental Properties
- PSA: 17.07
Benzaldehyde, 2-iodo-3-methyl- Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Alichem | A014000426-250mg |
2-Iodo-3-methylbenzaldehyde |
100130-55-0 | 97% | 250mg |
$504.00 | 2023-09-04 | |
| Alichem | A014000426-500mg |
2-Iodo-3-methylbenzaldehyde |
100130-55-0 | 97% | 500mg |
$798.70 | 2023-09-04 | |
| Alichem | A014000426-1g |
2-Iodo-3-methylbenzaldehyde |
100130-55-0 | 97% | 1g |
$1445.30 | 2023-09-04 | |
| 1PlusChem | 1P0001I1-100mg |
Benzaldehyde, 2-iodo-3-methyl- |
100130-55-0 | 98% | 100mg |
$310.00 | 2023-12-27 | |
| 1PlusChem | 1P0001I1-250mg |
Benzaldehyde, 2-iodo-3-methyl- |
100130-55-0 | 98% | 250mg |
$459.00 | 2023-12-27 | |
| 1PlusChem | 1P0001I1-1g |
Benzaldehyde, 2-iodo-3-methyl- |
100130-55-0 | 98% | 1g |
$897.00 | 2023-12-27 | |
| Aaron | AR0001QD-100mg |
Benzaldehyde, 2-iodo-3-methyl- |
100130-55-0 | 98% | 100mg |
$274.00 | 2025-02-17 | |
| Aaron | AR0001QD-250mg |
Benzaldehyde, 2-iodo-3-methyl- |
100130-55-0 | 98% | 250mg |
$401.00 | 2025-02-17 | |
| Aaron | AR0001QD-1g |
Benzaldehyde, 2-iodo-3-methyl- |
100130-55-0 | 98% | 1g |
$801.00 | 2025-02-17 | |
| A2B Chem LLC | AA01145-100mg |
2-Iodo-3-methylbenzaldehyde |
100130-55-0 | 98% | 100mg |
$349.00 | 2024-04-20 |
Benzaldehyde, 2-iodo-3-methyl- Related Literature
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Hamid Heydari,Mohammad B. Gholivand New J. Chem., 2017,41, 237-244
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Priyambada Nayak,Tanmaya Badapanda,Anil Kumar Singh,Simanchalo Panigrahi RSC Adv., 2017,7, 16319-16331
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Huifang Yang,Haoran Guo,Peidong Fan,Xinpan Li,Wenlu Ren,Rui Song Nanoscale, 2020,12, 7024-7034
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Xiang Liu,Qian Sun,A. B. Djuri?i?,Maohai Xie,Baohu Dai,Jinyao Tang,Charles Surya,Changzhong Liao,Kaimin Shih RSC Adv., 2015,5, 100783-100789
Additional information on Benzaldehyde, 2-iodo-3-methyl-
Comprehensive Guide to Benzaldehyde, 2-iodo-3-methyl- (CAS No. 100130-55-0): Properties, Applications, and Market Insights
Benzaldehyde, 2-iodo-3-methyl- (CAS No. 100130-55-0) is a specialized organic compound that has garnered significant attention in the fields of pharmaceuticals, agrochemicals, and material science. This halogenated benzaldehyde derivative is characterized by the presence of an iodine atom and a methyl group on the benzene ring, which imparts unique chemical properties. Researchers and industry professionals are increasingly interested in this compound due to its potential applications in drug synthesis, flavor and fragrance formulations, and as a building block in organic chemistry.
The molecular structure of 2-iodo-3-methylbenzaldehyde features a benzaldehyde core with substituents at the 2 and 3 positions. The iodine atom at the 2-position enhances the compound's reactivity in various cross-coupling reactions, making it valuable in palladium-catalyzed processes. Meanwhile, the methyl group at the 3-position influences the compound's steric and electronic properties, affecting its behavior in synthetic pathways. These structural features make Benzaldehyde, 2-iodo-3-methyl- a versatile intermediate in modern organic synthesis.
In pharmaceutical research, CAS 100130-55-0 has shown promise as a precursor in the development of novel therapeutic agents. Recent studies highlight its utility in creating iodinated aromatic compounds, which are increasingly important in radiopharmaceuticals and imaging agents. The compound's ability to participate in Suzuki-Miyaura and Sonogashira coupling reactions makes it particularly valuable for constructing complex molecular architectures found in many modern drugs.
The flavor and fragrance industry has also shown interest in 2-iodo-3-methylbenzaldehyde derivatives. While the compound itself has limited direct applications in this field, its structural modifications can lead to novel aromatic compounds with unique organoleptic properties. Researchers are exploring its potential in creating specialty chemicals for high-end perfumery and food flavoring applications, particularly in developing iodine-containing aroma molecules with distinctive characteristics.
From a market perspective, the demand for Benzaldehyde, 2-iodo-3-methyl- has been steadily growing, driven by advancements in medicinal chemistry and material science. The compound's niche applications in organic electronics and functional materials have opened new opportunities in research and development. Current market analysis suggests increasing procurement of this chemical by contract research organizations and specialty chemical manufacturers, particularly in regions with strong pharmaceutical and agrochemical industries.
Recent technological advancements in halogenation techniques and green chemistry approaches have improved the synthesis and handling of CAS 100130-55-0. Modern laboratories are adopting more sustainable methods for producing such halogenated compounds, addressing both environmental concerns and process efficiency. These developments are particularly relevant given the current industry focus on sustainable chemical production and atom economy in synthetic pathways.
Quality control and characterization of 2-iodo-3-methylbenzaldehyde are crucial aspects for researchers and manufacturers. Advanced analytical techniques including HPLC, GC-MS, and NMR spectroscopy are routinely employed to ensure purity and verify structural integrity. Proper storage conditions—typically in cool, dry environments protected from light—are essential to maintain the compound's stability over time, as the iodine substituent can be sensitive to certain environmental factors.
The scientific literature contains numerous references to Benzaldehyde, 2-iodo-3-methyl- in the context of innovative research. Recent publications have explored its use in metal-organic frameworks (MOFs), catalysis, and as a precursor for heterocyclic compounds. These studies demonstrate the compound's versatility and continued relevance in cutting-edge chemical research, particularly in areas combining halogen chemistry with materials science applications.
For researchers considering working with CAS 100130-55-0, it's important to consult the latest safety data and handling procedures. While not classified as hazardous under standard regulations, proper laboratory practices should always be followed when handling halogenated aromatic compounds. The compound's material safety data sheet (MSDS) provides essential information about its physical properties, stability, and recommended protective measures for laboratory personnel.
Looking forward, the applications of 2-iodo-3-methylbenzaldehyde are expected to expand as new synthetic methodologies emerge. The growing interest in halogen bonding in supramolecular chemistry and the development of iodine-rich functional materials suggest that this compound will remain an important tool for chemical innovation. Its unique combination of reactivity and structural features positions it as a valuable asset in both academic research and industrial applications for years to come.
In conclusion, Benzaldehyde, 2-iodo-3-methyl- (CAS No. 100130-55-0) represents an important building block in modern chemistry with diverse applications across multiple scientific disciplines. Its unique properties stemming from the strategic placement of iodine and methyl substituents make it particularly valuable for researchers developing new pharmaceuticals, advanced materials, and specialty chemicals. As synthetic chemistry continues to evolve, this compound is likely to find even broader utility in scientific and industrial applications.
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