Cas no 1805742-96-4 (2-Chloro-7-difluoromethoxy-1H-benzimidazole)
2-Chloro-7-difluoromethoxy-1H-benzimidazole is a benzimidazole derivative characterized by the presence of chloro and difluoromethoxy substituents. This compound serves as a versatile intermediate in pharmaceutical and agrochemical synthesis, particularly in the development of bioactive molecules. The chloro group enhances reactivity for further functionalization, while the difluoromethoxy moiety contributes to improved metabolic stability and lipophilicity, which can influence pharmacokinetic properties. Its structural features make it valuable for designing inhibitors or modulators targeting specific biological pathways. The compound is typically handled under controlled conditions due to its sensitivity, and purity is critical for consistent performance in synthetic applications.
1805742-96-4 structure
Product Name:2-Chloro-7-difluoromethoxy-1H-benzimidazole
CAS No:1805742-96-4
MF:C8H5ClF2N2O
MW:218.587907552719
CID:4826222
Update Time:2025-05-27
2-Chloro-7-difluoromethoxy-1H-benzimidazole Chemical and Physical Properties
Names and Identifiers
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- 2-Chloro-7-difluoromethoxy-1H-benzimidazole
- 2-Chloro-7-(difluoromethoxy)-1H-benzo[d]imidazole
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- Inchi: 1S/C8H5ClF2N2O/c9-7-12-4-2-1-3-5(6(4)13-7)14-8(10)11/h1-3,8H,(H,12,13)
- InChI Key: HBIRRXUWTNCUEM-UHFFFAOYSA-N
- SMILES: ClC1=NC2C(=CC=CC=2N1)OC(F)F
Computed Properties
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 14
- Rotatable Bond Count: 2
- Complexity: 208
- XLogP3: 3.4
- Topological Polar Surface Area: 37.9
2-Chloro-7-difluoromethoxy-1H-benzimidazole Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Alichem | A061000538-250mg |
2-Chloro-7-difluoromethoxy-1H-benzimidazole |
1805742-96-4 | 98% | 250mg |
$754.17 | 2022-04-01 | |
| Alichem | A061000538-500mg |
2-Chloro-7-difluoromethoxy-1H-benzimidazole |
1805742-96-4 | 98% | 500mg |
$1,055.84 | 2022-04-01 | |
| Alichem | A061000538-1g |
2-Chloro-7-difluoromethoxy-1H-benzimidazole |
1805742-96-4 | 98% | 1g |
$1,792.28 | 2022-04-01 |
2-Chloro-7-difluoromethoxy-1H-benzimidazole Related Literature
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Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
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Teresita Carrillo-Hernández,Philippe Schaeffer,Pierre Albrecht Chem. Commun., 2001, 1976-1977
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Priyambada Nayak,Tanmaya Badapanda,Anil Kumar Singh,Simanchalo Panigrahi RSC Adv., 2017,7, 16319-16331
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Bidou Wang,Xifeng Chen Analyst, 2014,139, 5695-5699
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