Cas no 1805838-21-4 (Ethyl 7-Bromo-2-fluoro-1H-benzimidazole-5-carboxylate)
Ethyl 7-Bromo-2-fluoro-1H-benzimidazole-5-carboxylate is a fluorinated benzimidazole derivative with a bromo substituent at the 7-position and an ester functional group at the 5-position. This compound serves as a versatile intermediate in organic synthesis, particularly in the development of pharmaceuticals and agrochemicals. The presence of both bromo and fluoro groups enhances its reactivity, enabling selective functionalization for further derivatization. The ethyl ester moiety improves solubility in organic solvents, facilitating downstream reactions. Its structural features make it valuable for constructing complex heterocyclic frameworks, often utilized in medicinal chemistry for targeting biologically active molecules. High purity and well-defined reactivity ensure consistent performance in synthetic applications.
1805838-21-4 structure
Product Name:Ethyl 7-Bromo-2-fluoro-1H-benzimidazole-5-carboxylate
CAS No:1805838-21-4
MF:C10H8BrFN2O2
MW:287.085124969482
CID:4824193
Update Time:2025-10-29
Ethyl 7-Bromo-2-fluoro-1H-benzimidazole-5-carboxylate Chemical and Physical Properties
Names and Identifiers
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- Ethyl 7-Bromo-2-fluoro-1H-benzimidazole-5-carboxylate
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- Inchi: 1S/C10H8BrFN2O2/c1-2-16-9(15)5-3-6(11)8-7(4-5)13-10(12)14-8/h3-4H,2H2,1H3,(H,13,14)
- InChI Key: RSLHEHBZEHGVCO-UHFFFAOYSA-N
- SMILES: BrC1=CC(C(=O)OCC)=CC2=C1N=C(N2)F
Computed Properties
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 16
- Rotatable Bond Count: 3
- Complexity: 280
- XLogP3: 2.8
- Topological Polar Surface Area: 55
Ethyl 7-Bromo-2-fluoro-1H-benzimidazole-5-carboxylate Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Alichem | A061007191-250mg |
Ethyl 7-Bromo-2-fluoro-1H-benzimidazole-5-carboxylate |
1805838-21-4 | 98% | 250mg |
$5,940.67 | 2022-04-01 | |
| Alichem | A061007191-500mg |
Ethyl 7-Bromo-2-fluoro-1H-benzimidazole-5-carboxylate |
1805838-21-4 | 98% | 500mg |
$8,640.10 | 2022-04-01 | |
| Alichem | A061007191-1g |
Ethyl 7-Bromo-2-fluoro-1H-benzimidazole-5-carboxylate |
1805838-21-4 | 98% | 1g |
$13,505.16 | 2022-04-01 |
Ethyl 7-Bromo-2-fluoro-1H-benzimidazole-5-carboxylate Related Literature
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Albertus D. Handoko,Khoong Hong Khoo,Teck Leong Tan,Hongmei Jin,Zhi Wei Seh J. Mater. Chem. A, 2018,6, 21885-21890
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Bo Wei,Zhenyu Liu,Chen Xie,Shu Yang,Wentao Tang,Aiwei Gu,Wing-Tak Wong,Ka-Leung Wong J. Mater. Chem. C, 2015,3, 12322-12327
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Sowmyalakshmi Venkataraman RSC Adv., 2015,5, 73807-73813
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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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Craig A. Kelly,David R. Rosseinsky Phys. Chem. Chem. Phys., 2001,3, 2086-2090
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