Basic information
- CAS
13230-03-0- Standard SMILES
CCc1ncc([N+](=O)[O-])[nH]1- InChIKey
MXNAZXOOFZKJEV-UHFFFAOYSA-N- Molecular formula
- C5H7N3O2
- Average molar mass
- 141.13 g/mol
- Monoisotopic mass
- 141.05382648
Names & identifiers
- Preferred name
- 2-Ethyl-4-nitro-1H-imidazole
- IUPAC
- 2-ethyl-5-nitro-1H-imidazole
- English name
- 2-ethyl-4-nitro-1H-imidazole
- Molecular formula
- C5H7N3O2
- Molecular weight
- 141.12798
Names & synonyms
2-Ethyl-4-nitro-1H-imidazole13230-03-02-ethyl-5-nitro-1H-imidazoleMFCD017214442-ethyl-4-nitroimidazoleImidazole, 2-ethyl-4-nitro-1H-Imidazole, 2-ethyl-4-nitro-EINECS 236-200-1AI3-62152SCHEMBL3965790SCHEMBL8813561DTXSID20157469
Show more names
1H-Imidazole, 2-ethyl-5-nitro-
MXNAZXOOFZKJEV-UHFFFAOYSA-NSBB081522AKOS000276381AKOS006349677SB32831CS-45675DB-089927CS-0342491
Database identifiers
- CAS
13230-03-0- PubChem CID
- 83249
- DTXSID
DTXSID20157469- EC Number
- 236-200-1
- Nikkaji
- J86.846I
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 74.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 133
Physicochemical properties
- Melting point
- 161 °C · 161 °C
- Boiling point
- 382.1 · 382.1±15.0 °C(Predicted)
- Density
- 1.335 · 1.335±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 8.81 · 8.81±0.10(Predicted)
- EWG's Food Scores
- 1 · 1
Chemistry & industry
Applications
Uses2-ethyl-5-nitro-1H-imidazole is a useful research chemical used in the preparation of 2-Alkyl 2-(4 or 5)nitroimidazoles.
Upstream & downstream products
Downstream products
Suppliers11 total
上海恩诺生物科技有限公司+86 (21) 6435-5022
杰达维（上海）医药科技发展有限公司/J & W PharmLab021-64340559 · [email protected]
康姆芘法思（上海）生物科技有限公司021-65232103 17602124823 · [email protected]
陕西缔都医药化工有限公司029-81024372 17792795018 · [email protected]
深圳振强药物研发有限公司+86-0755-66853366 +86-13670046396 · [email protected]
康姆芘法思（上海）生物科技有限公司021-65232103 17602124823 · [email protected]
砌块化学科技（上海）有限公司021-20432219 13918097649 · [email protected]
上海旺珐化工科技有限公司（安徽珐诺伊医药科技有限公司）13918479294 · [email protected]
上海智乾生物科技有限公司[email protected]
江苏艾康生物医药研发有限公司025-58859352 17714375163 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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