Cas no 1804906-08-8 (Methyl 2,4-difluoro-6-(difluoromethyl)benzoate)
Methyl 2,4-difluoro-6-(difluoromethyl)benzoate is a fluorinated benzoate ester with notable applications in pharmaceutical and agrochemical synthesis. Its structure, featuring multiple fluorine substituents, enhances reactivity and stability, making it a valuable intermediate for constructing complex molecules. The difluoromethyl group at the 6-position introduces unique electronic effects, facilitating selective transformations in cross-coupling or nucleophilic substitution reactions. This compound’s high purity and well-defined stereochemistry ensure consistent performance in fine chemical processes. Its compatibility with diverse reaction conditions further underscores its utility in developing advanced active ingredients. Suitable for research and industrial use, it offers a versatile building block for fluorine-containing derivatives.
1804906-08-8 structure
Product Name:Methyl 2,4-difluoro-6-(difluoromethyl)benzoate
CAS No:1804906-08-8
MF:C9H6F4O2
MW:222.136356830597
CID:4951236
Update Time:2025-05-28
Methyl 2,4-difluoro-6-(difluoromethyl)benzoate Chemical and Physical Properties
Names and Identifiers
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- Methyl 2,4-difluoro-6-(difluoromethyl)benzoate
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- Inchi: 1S/C9H6F4O2/c1-15-9(14)7-5(8(12)13)2-4(10)3-6(7)11/h2-3,8H,1H3
- InChI Key: QGMJWKCGBLNLEU-UHFFFAOYSA-N
- SMILES: FC1=CC(=CC(C(F)F)=C1C(=O)OC)F
Computed Properties
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 15
- Rotatable Bond Count: 3
- Complexity: 234
- XLogP3: 2.6
- Topological Polar Surface Area: 26.3
Methyl 2,4-difluoro-6-(difluoromethyl)benzoate Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Alichem | A015013315-250mg |
Methyl 2,4-difluoro-6-(difluoromethyl)benzoate |
1804906-08-8 | 97% | 250mg |
484.80 USD | 2021-06-21 | |
| Alichem | A015013315-500mg |
Methyl 2,4-difluoro-6-(difluoromethyl)benzoate |
1804906-08-8 | 97% | 500mg |
823.15 USD | 2021-06-21 | |
| Alichem | A015013315-1g |
Methyl 2,4-difluoro-6-(difluoromethyl)benzoate |
1804906-08-8 | 97% | 1g |
1,475.10 USD | 2021-06-21 |
Methyl 2,4-difluoro-6-(difluoromethyl)benzoate Related Literature
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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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Daniel Messmer,Stefan Salentinig,Jakob Heier Nanoscale, 2019,11, 6929-6938
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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Bruce Parkinson Energy Environ. Sci., 2010,3, 509-511
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