Cas no 215239-69-3 (5-bromo-2,7-dimethyl-1H-1,3-benzodiazole)
5-Bromo-2,7-dimethyl-1H-1,3-benzodiazole is a brominated benzodiazole derivative featuring a fused heterocyclic structure with methyl substituents at the 2- and 7-positions. This compound is of interest in organic synthesis and pharmaceutical research due to its potential as a versatile intermediate for constructing more complex heterocyclic systems. The bromine atom at the 5-position enhances reactivity for further functionalization via cross-coupling reactions, while the methyl groups contribute to steric and electronic modulation. Its well-defined structure and stability make it suitable for applications in medicinal chemistry, particularly in the development of bioactive molecules. The compound is typically characterized by NMR and mass spectrometry for purity verification.
215239-69-3 structure
Product Name:5-bromo-2,7-dimethyl-1H-1,3-benzodiazole
CAS No:215239-69-3
MF:C9H9BrN2
MW:225.085160970688
MDL:MFCD19373973
CID:3910037
PubChem ID:66920447
Update Time:2025-05-28
5-bromo-2,7-dimethyl-1H-1,3-benzodiazole Chemical and Physical Properties
Names and Identifiers
-
- 1H-Benzimidazole, 6-bromo-2,4-dimethyl-
- 5-bromo-2,7-dimethyl-1H-1,3-benzodiazole
- 6-bromo-2,4-dimethyl-1H-1,3-benzodiazole
- 1H-Benzimidazole, 5-bromo-2,7-dimethyl-
- 6-bromo-2,4-dimethyl-1H-benzimidazole
- 5-Bromo-2,7-dimethyl-1H-benzo[d]imidazole
- Z1269190684
- 215239-69-3
- QIA23969
- G49184
- EN300-3168470
- 5-Bromo-2,7-dimethyl-1H-benzimidazole
- GXRBMCDGVSZJHK-UHFFFAOYSA-N
- 827-713-7
- SCHEMBL1144583
- DB-413615
- SCHEMBL16801763
-
- MDL： MFCD19373973
- Inchi： 1S/C9H9BrN2/c1-5-3-7(10)4-8-9(5)12-6(2)11-8/h3-4H,1-2H3,(H,11,12)
- InChI Key： GXRBMCDGVSZJHK-UHFFFAOYSA-N
- SMILES： C1(C)NC2=C(C)C=C(Br)C=C2N=1
Computed Properties
- Exact Mass: 223.99491Da
- Monoisotopic Mass: 223.99491Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 12
- Rotatable Bond Count: 0
- Complexity: 174
- 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: 2.9
- Topological Polar Surface Area: 28.7?2
5-bromo-2,7-dimethyl-1H-1,3-benzodiazole Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Enamine | EN300-3168470-0.05g |
5-bromo-2,7-dimethyl-1H-1,3-benzodiazole |
215239-69-3 | 95% | 0.05g |
$155.0 | 2023-09-05 | |
| Enamine | EN300-3168470-0.1g |
5-bromo-2,7-dimethyl-1H-1,3-benzodiazole |
215239-69-3 | 95% | 0.1g |
$232.0 | 2023-09-05 | |
| Enamine | EN300-3168470-0.25g |
5-bromo-2,7-dimethyl-1H-1,3-benzodiazole |
215239-69-3 | 95% | 0.25g |
$331.0 | 2023-09-05 | |
| Enamine | EN300-3168470-0.5g |
5-bromo-2,7-dimethyl-1H-1,3-benzodiazole |
215239-69-3 | 95% | 0.5g |
$524.0 | 2023-09-05 | |
| Enamine | EN300-3168470-1.0g |
5-bromo-2,7-dimethyl-1H-1,3-benzodiazole |
215239-69-3 | 95% | 1.0g |
$671.0 | 2023-07-10 | |
| Enamine | EN300-3168470-2.5g |
5-bromo-2,7-dimethyl-1H-1,3-benzodiazole |
215239-69-3 | 95% | 2.5g |
$1315.0 | 2023-09-05 | |
| Enamine | EN300-3168470-5.0g |
5-bromo-2,7-dimethyl-1H-1,3-benzodiazole |
215239-69-3 | 95% | 5.0g |
$1945.0 | 2023-07-10 | |
| Enamine | EN300-3168470-10.0g |
5-bromo-2,7-dimethyl-1H-1,3-benzodiazole |
215239-69-3 | 95% | 10.0g |
$2884.0 | 2023-07-10 | |
| Enamine | EN300-3168470-1g |
5-bromo-2,7-dimethyl-1H-1,3-benzodiazole |
215239-69-3 | 95% | 1g |
$671.0 | 2023-09-05 | |
| Enamine | EN300-3168470-5g |
5-bromo-2,7-dimethyl-1H-1,3-benzodiazole |
215239-69-3 | 95% | 5g |
$1945.0 | 2023-09-05 |
5-bromo-2,7-dimethyl-1H-1,3-benzodiazole Related Literature
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1. An autonomous self-optimizing flow machine for the synthesis of pyridine–oxazoline (PyOX) ligands?Eric Wimmer,Daniel Cortés-Borda,Solène Brochard,Elvina Barré,Charlotte Truchet,Fran?ois-Xavier Felpin React. Chem. Eng., 2019,4, 1608-1615
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J. M. Granadino-Roldán,M. Fernández-Gómez,A. Navarro,T. Pe?a Ruiz,U. A. Jayasooriya Phys. Chem. Chem. Phys., 2004,6, 1133-1143
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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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4. An integrated microfluidic 3D tumor system for parallel and high-throughput chemotherapy evaluation?Dan Liu,Rui Hu,Zhongchao Huang,Meilin Sun,Kai Han Analyst, 2020,145, 6447-6455
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Xue-Ying Wang,Ying Pei,Min Xie,Zi-He Jin,Ya-Shi Xiao,Yang Wang,Li-Na Zhang,Yan Li,Wei-Hua Huang Lab Chip, 2015,15, 1178-1187
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