Cas no 501433-15-4 (Benzoic acid, 2-fluoro-3,4-diiodo-, methyl ester)
Technical Introduction: Benzoic Acid, 2-Fluoro-3,4-Diiodo-, Methyl Ester
This compound, a fluorinated and diiodinated benzoic acid methyl ester, is a versatile intermediate in organic synthesis and pharmaceutical research. The presence of fluorine and iodine atoms at the 2, 3, and 4 positions enhances its reactivity, making it valuable for selective functionalization and cross-coupling reactions. Its structural features contribute to potential applications in medicinal chemistry, particularly in the development of bioactive molecules. The methyl ester group improves solubility and handling in synthetic workflows. This product is characterized by high purity and stability, ensuring reliable performance in demanding chemical transformations. Suitable for research and industrial use, it serves as a key building block in advanced synthetic applications.
501433-15-4 structure
Product Name:Benzoic acid, 2-fluoro-3,4-diiodo-, methyl ester
CAS No:501433-15-4
MF:C8H5FI2O2
MW:405.931450605392
CID:1565947
PubChem ID:10873199
Update Time:2025-05-28
Benzoic acid, 2-fluoro-3,4-diiodo-, methyl ester Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid, 2-fluoro-3,4-diiodo-, methyl ester
- AKOS024263907
- Methyl 3,4-diiodo-2-fluorobenzoate
- 501433-15-4
-
- Inchi: 1S/C8H5FI2O2/c1-13-8(12)4-2-3-5(10)7(11)6(4)9/h2-3H,1H3
- InChI Key: LRMJYEQLNHIRPG-UHFFFAOYSA-N
- SMILES: IC1=C(C=CC(C(=O)OC)=C1F)I
Computed Properties
- Exact Mass: 405.83535
- Monoisotopic Mass: 405.83630g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 13
- Rotatable Bond Count: 2
- Complexity: 201
- 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: 3.2
- Topological Polar Surface Area: 26.3?2
Experimental Properties
- PSA: 26.3
Benzoic acid, 2-fluoro-3,4-diiodo-, methyl ester Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Alichem | A015013371-250mg |
Methyl 3,4-diiodo-2-fluorobenzoate |
501433-15-4 | 97% | 250mg |
$504.00 | 2023-09-01 | |
| Alichem | A015013371-500mg |
Methyl 3,4-diiodo-2-fluorobenzoate |
501433-15-4 | 97% | 500mg |
$855.75 | 2023-09-01 | |
| Alichem | A015013371-1g |
Methyl 3,4-diiodo-2-fluorobenzoate |
501433-15-4 | 97% | 1g |
$1460.20 | 2023-09-01 |
Benzoic acid, 2-fluoro-3,4-diiodo-, methyl ester Related Literature
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Alvin Tanudjaja,Shinsuke Inagi,Fusao Kitamura,Toshikazu Takata,Ikuyoshi Tomita Dalton Trans., 2021,50, 3037-3043
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José M. Rivera,Mariana Martín-Hidalgo,Jean C. Rivera-Ríos Org. Biomol. Chem., 2012,10, 7562-7565
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Inês S. Albuquerque,Hélia F. Jeremias,Miguel Chaves-Ferreira,Dijana Matak-Vinkovic,Omar Boutureira,Carlos C. Rom?o Chem. Commun., 2015,51, 3993-3996
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4. An all-solid-state imprinted polymer-based potentiometric sensor for determination of bisphenol S?Rongning Liang,Tanji Yin,Ruiqing Yao,Wei Qin RSC Adv., 2016,6, 73308-73312
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Robert J. Meagher,Anson V. Hatch,Ronald F. Renzi,Anup K. Singh Lab Chip, 2008,8, 2046-2053
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