Cas no 708-25-8 (Ethyl 2,5-difluorobenzoate)
Ethyl 2,5-difluorobenzoate Chemical and Physical Properties
Names and Identifiers
-
- ethyl 2,5-difluorobenzoate
- 2,5-Difluoro-benzoic acid ethyl ester
- C9H8F2O2
- ETHYL-2,5-DIFLUOROBENZOATE
- benzoic acid, 2,5-difluoro-, ethyl ester
- Ethyl-2,5-difluorbenzolcarboxylat
- LogP
- RARECHEM AL BI 0214
- Ethyl 2-fluoro-5-fluorobenzoate
- VTNZLYJCCASTNV-UHFFFAOYSA-N
- 2,5-Difluorobenzoic acid, ethyl ester
- AK194564
- SY039194
- TL8004987
- AKOS009166555
- Ethyl2,5-difluorobenzoate
- 708-25-8
- MFCD06204339
- AMY6343
- AC6662
- DS-10432
- A918323
- DTXSID80615575
- 2,5-Difluorobenzoic acid ethyl ester
- SCHEMBL1997075
- DB-334072
- Ethyl 2,5-difluorobenzoate
-
- MDL: MFCD06204339
- Inchi: 1S/C9H8F2O2/c1-2-13-9(12)7-5-6(10)3-4-8(7)11/h3-5H,2H2,1H3
- InChI Key: VTNZLYJCCASTNV-UHFFFAOYSA-N
- SMILES: FC1C=CC(=CC=1C(=O)OCC)F
Computed Properties
- Exact Mass: 186.04924
- Monoisotopic Mass: 186.04923582g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 13
- Rotatable Bond Count: 3
- Complexity: 185
- 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
- Topological Polar Surface Area: 26.3
- XLogP3: 2.3
Experimental Properties
- Boiling Point: 230.7℃ at 760 mmHg
- PSA: 26.3
Ethyl 2,5-difluorobenzoate Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Alichem | A019096490-10g |
Ethyl 2,5-difluorobenzoate |
708-25-8 | 95% | 10g |
$193.64 | 2023-09-01 | |
| Alichem | A019096490-25g |
Ethyl 2,5-difluorobenzoate |
708-25-8 | 95% | 25g |
$393.75 | 2023-09-01 | |
| Chemenu | CM254679-5g |
Ethyl 2,5-difluorobenzoate |
708-25-8 | 95% | 5g |
$115 | 2021-06-16 | |
| Chemenu | CM254679-10g |
Ethyl 2,5-difluorobenzoate |
708-25-8 | 95% | 10g |
$192 | 2021-06-16 | |
| Chemenu | CM254679-25g |
Ethyl 2,5-difluorobenzoate |
708-25-8 | 95% | 25g |
$351 | 2021-06-16 | |
| Matrix Scientific | 129924-1g |
2,5-Difluoro-benzoic acid ethyl ester, 95%+ |
708-25-8 | 95% | 1g |
$198.00 | 2023-09-10 | |
| Matrix Scientific | 129924-5g |
2,5-Difluoro-benzoic acid ethyl ester, 95%+ |
708-25-8 | 95% | 5g |
$504.00 | 2023-09-10 | |
| TRC | E916655-50mg |
Ethyl 2,5-Difluorobenzoate |
708-25-8 | 50mg |
$ 50.00 | 2022-06-05 | ||
| TRC | E916655-100mg |
Ethyl 2,5-Difluorobenzoate |
708-25-8 | 100mg |
$ 65.00 | 2022-06-05 | ||
| TRC | E916655-500mg |
Ethyl 2,5-Difluorobenzoate |
708-25-8 | 500mg |
$ 185.00 | 2022-06-05 |
Ethyl 2,5-difluorobenzoate Suppliers
Ethyl 2,5-difluorobenzoate Related Literature
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Christian K. Rank,Alexander W. Jones,Tatjana Wall,Patrick Di Martino-Fumo,Sarah Schr?ck,Markus Gerhards,Frederic W. Patureau Chem. Commun., 2019,55, 13749-13752
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Alvin Tanudjaja,Shinsuke Inagi,Fusao Kitamura,Toshikazu Takata,Ikuyoshi Tomita Dalton Trans., 2021,50, 3037-3043
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Muniyandi Sankaralingam,So Hyun Jeon,Yong-Min Lee,Mi Sook Seo,Wonwoo Nam Dalton Trans., 2016,45, 376-383
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Sandip Gangadhar Balwe,Yeon Tae Jeong Org. Biomol. Chem., 2018,16, 1287-1296
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Jing Chen,Yu Shao,Danzhen Li J. Mater. Chem. A, 2017,5, 937-941
Additional information on Ethyl 2,5-difluorobenzoate
Ethyl 2,5-difluorobenzoate (CAS No. 708-25-8): A Comprehensive Overview
Ethyl 2,5-difluorobenzoate, identified by the chemical compound code CAS No. 708-25-8, is a fluorinated benzoate ester that has garnered significant attention in the field of organic chemistry and pharmaceutical research. This compound, characterized by its two fluorine atoms substituting at the 2 and 5 positions of the benzene ring, exhibits unique chemical properties that make it a valuable intermediate in synthetic chemistry and a potential candidate for various applications in medicinal chemistry.
The structure of ethyl 2,5-difluorobenzoate imparts distinct reactivity and stability, making it a versatile building block for the synthesis of more complex molecules. The presence of fluorine atoms enhances the electronic properties of the benzene ring, influencing its interaction with other chemical entities. This feature is particularly relevant in the development of pharmaceuticals, where fluorine substitution can modulate metabolic stability, bioavailability, and binding affinity.
In recent years, there has been growing interest in the applications of fluorinated benzoates in drug discovery and development. The< strong>2,5-difluorobenzoate moiety has been explored as a pharmacophore in several therapeutic areas, including anti-inflammatory, anticancer, and antimicrobial agents. The ability to fine-tune the electronic and steric properties of this scaffold allows for the design of molecules with enhanced pharmacological activity.
One of the most compelling aspects of ethyl 2,5-difluorobenzoate is its role as a precursor in the synthesis of more complex fluorinated compounds. Researchers have leveraged this compound to develop novel intermediates that serve as key components in the preparation of active pharmaceutical ingredients (APIs). The synthetic pathways involving ethyl 2,5-difluorobenzoate are often efficient and scalable, making it an attractive choice for industrial applications.
The pharmaceutical industry has been particularly interested in exploring the potential of fluorinated benzoates as lead compounds or intermediates. For instance, studies have demonstrated that derivatives of ethyl 2,5-difluorobenzoate exhibit promising biological activity against various targets. These findings have spurred further research into optimizing synthetic routes and exploring new derivatives with enhanced therapeutic profiles.
In addition to its pharmaceutical applications, ethyl 2,5-difluorobenzoate has found utility in materials science and agrochemical research. Its unique chemical properties make it a suitable candidate for developing advanced materials with specific functionalities. Furthermore, the compound's reactivity allows for the synthesis of novel agrochemicals with improved efficacy and environmental compatibility.
The synthesis of ethyl 2,5-difluorobenzoate typically involves the esterification of 2,5-difluorobenzonic acid with ethanol under acidic conditions. This reaction is well-studied and can be performed using various catalysts to enhance yield and selectivity. The availability of efficient synthetic methods has contributed to the increased interest in this compound among researchers.
The safety profile of ethyl 2,5-difluorobenzoate is another critical consideration. While it is not classified as a hazardous material under standard regulatory guidelines, proper handling procedures should be followed to ensure safe laboratory practices. The compound's stability under various conditions makes it suitable for long-term storage and transport when handled appropriately.
In conclusion, Ethyl 2,5-difluorobenzoate (CAS No. 708-25-8) is a multifaceted compound with significant potential in pharmaceuticals, materials science, and agrochemicals. Its unique structural features and reactivity make it a valuable tool for researchers seeking to develop novel compounds with enhanced biological activity and functional properties. As research continues to uncover new applications for this compound, its importance in scientific innovation is likely to grow further.
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