Cas no 56750-04-0 (b,2-Dimethyl-5-nitro-1H-imidazole-1-ethanol)
2,2-Dimethyl-5-nitro-1H-imidazole-1-ethanol is a nitroimidazole derivative with potential applications in pharmaceutical and chemical research. Its structure features a nitro group at the 5-position and a hydroxyl-substituted ethanol moiety at the 1-position of the imidazole ring, contributing to its reactivity and solubility properties. This compound may serve as an intermediate in the synthesis of antimicrobial or antiparasitic agents, leveraging the nitroimidazole scaffold's bioactivity. The dimethyl substitution enhances stability, while the polar hydroxyl group improves compatibility with aqueous systems. Suitable for controlled reactions, it offers researchers a versatile building block for developing novel therapeutic compounds or studying nitroimidazole-based mechanisms. Proper handling is advised due to potential sensitivity.
56750-04-0 structure
Product Name:b,2-Dimethyl-5-nitro-1H-imidazole-1-ethanol
CAS No:56750-04-0
MF:C7H11N3O3
MW:185.180541276932
MDL:MFCD29068324
CID:1114132
PubChem ID:14458452
Update Time:2025-10-06
b,2-Dimethyl-5-nitro-1H-imidazole-1-ethanol Chemical and Physical Properties
Names and Identifiers
-
- β,2-dimethyl-5-nitro-1H-Imidazole-1-ethanol
- Metronidazole Impurity 10
- 2-(2-Methyl-5-nitro-1H-imidazol-1-yl)propan-1-ol
- Secnidazole Impurity B
- 2-(2-Methyl-5-nitroimidazol-1-yl)propan-1-ol
- 56750-04-0
- b,2-Dimethyl-5-nitro-1H-imidazole-1-ethanol
- 1H-Imidazole-1-ethanol, beta,2-dimethyl-5-nitro-
- 1-((2-Hydroxy-1-methyl)ethyl)-2-methyl-5-nitroimidazole
- FSN8ZQN7AV
- 1-(3-hydroxyisopropyl)-2-methyl-5-nitroimidazole
- beta,2-Dimethyl-5-nitro-1H-imidazole-1-ethanol
- 1-((2-Hydroxy-1-methyl)ethyl)-2-methyl-5-nitroimidazole;
-
- MDL： MFCD29068324
- Inchi： 1S/C7H11N3O3/c1-5(4-11)9-6(2)8-3-7(9)10(12)13/h3,5,11H,4H2,1-2H3
- InChI Key： QBBJCFDTZBBBRB-UHFFFAOYSA-N
- SMILES： OCC(C)N1C(=CN=C1C)[N+](=O)[O-]
Computed Properties
- Exact Mass: 185.08004122g/mol
- Monoisotopic Mass: 185.08004122g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 13
- Rotatable Bond Count: 2
- Complexity: 194
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 0.4
- Topological Polar Surface Area: 83.9?2
Experimental Properties
- Density: 1.4±0.1 g/cm3
- Boiling Point: 387.4±22.0 °C at 760 mmHg
- Flash Point: 188.1±22.3 °C
- Vapor Pressure: 0.0±0.9 mmHg at 25°C
b,2-Dimethyl-5-nitro-1H-imidazole-1-ethanol Security Information
- Signal Word：warning
- Hazard Statement： H303+H313+H333
- Warning Statement： P264+P280+P305+P351+P338+P337+P313
- Safety Instruction： H303+H313+H333
- Storage Condition：storage at -4℃ (1-2weeks), longer storage period at -20℃ (1-2years)
b,2-Dimethyl-5-nitro-1H-imidazole-1-ethanol Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| TRC | D474905-5mg |
b,2-Dimethyl-5-nitro-1H-imidazole-1-ethanol |
56750-04-0 | 5mg |
$133.00 | 2023-05-18 | ||
| TRC | D474905-25mg |
b,2-Dimethyl-5-nitro-1H-imidazole-1-ethanol |
56750-04-0 | 25mg |
$ 224.00 | 2023-09-07 | ||
| TRC | D474905-100mg |
b,2-Dimethyl-5-nitro-1H-imidazole-1-ethanol |
56750-04-0 | 100mg |
$ 654.00 | 2023-09-07 | ||
| TRC | D474905-250mg |
b,2-Dimethyl-5-nitro-1H-imidazole-1-ethanol |
56750-04-0 | 250mg |
$ 1271.00 | 2023-09-07 | ||
| A2B Chem LLC | AX40949-1g |
β,2-Dimethyl-5-nitro-1H-imidazole-1-ethanol |
56750-04-0 | 95.00% | 1g |
$532.00 | 2024-04-19 | |
| A2B Chem LLC | AX40949-5g |
β,2-Dimethyl-5-nitro-1H-imidazole-1-ethanol |
56750-04-0 | 95.00% | 5g |
$1522.00 | 2024-04-19 | |
| eNovation Chemicals LLC | D541203-2g |
1-((2-Hydroxy-1-methyl)ethyl)-2-methyl-5-nitroimidazole |
56750-04-0 | 97% | 2g |
$650 | 2025-02-22 | |
| eNovation Chemicals LLC | D541203-1g |
1-((2-Hydroxy-1-methyl)ethyl)-2-methyl-5-nitroimidazole |
56750-04-0 | 97% | 1g |
$430 | 2025-02-22 | |
| eNovation Chemicals LLC | D541203-5g |
1-((2-Hydroxy-1-methyl)ethyl)-2-methyl-5-nitroimidazole |
56750-04-0 | 97% | 5g |
$1250 | 2025-02-22 | |
| eNovation Chemicals LLC | D541203-10g |
1-((2-Hydroxy-1-methyl)ethyl)-2-methyl-5-nitroimidazole |
56750-04-0 | 97% | 10g |
$2190 | 2025-02-22 |
b,2-Dimethyl-5-nitro-1H-imidazole-1-ethanol Related Literature
-
Hamid Heydari,Mohammad B. Gholivand New J. Chem., 2017,41, 237-244
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Karl Crowley,Eimer O'Malley,Aoife Morrin,Malcolm R. Smyth,Anthony J. Killard Analyst, 2008,133, 391-399
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3. 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
-
H. V. Jain,D. Verthelyi,S. L. Beaucage RSC Adv., 2017,7, 42519-42528
-
Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
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