Basic information
- CAS
32116-25-9- Standard SMILES
CC(=O)c1ccc([N+](=O)[O-])[nH]1- InChIKey
LIJJWPMRFYFJFR-UHFFFAOYSA-N- Molecular formula
- C6H6N2O3
- Average molar mass
- 154.12 g/mol
- Monoisotopic mass
- 154.03784206
Names & identifiers
- Preferred name
- 2-Acetyl-5-nitropyrrole
- IUPAC
- 1-(5-nitro-1H-pyrrol-2-yl)ethanone
- English name
- 2-Acetyl-5-nitropyrrole
- Molecular formula
- C6H6N2O3
- Molecular weight
- 154.12
Names & synonyms
2-Acetyl-5-nitropyrrole32116-25-91-(5-nitro-1H-pyrrol-2-yl)ethanoneEthanone, 1-(5-nitro-1H-pyrrol-2-yl)-Pyrrole, 2-acetyl-5-nitro-KETONE, METHYL (5-NITRO-2-PYRROLYL)U66Y4C4WEY1-(5-nitro-1H-pyrrol-2-yl)ethan-1-oneNSC-872312-Nitro-5-acetyl-1H-pyrroleNSC 87231BRN 0130864
Show more names
2-Acetyl-5-nitro-1H-pyrrole
Ketone, methyl 5-nitropyrrol-2-yl5-nitro-2-acetylpyrroleUNII-U66Y4C4WEYDTXSID80185905ACETYL-5-NITROPYRROLE, 2-NSC87231DB-249917
Database identifiers
- CAS
32116-25-9- PubChem CID
- 36066
- DTXSID
DTXSID80185905- UNII
- U66Y4C4WEY
- Nikkaji
- J71.237J
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 78.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 187
Physicochemical properties
- Melting point
- 156 °C · 156 °C
- Boiling point
- 277.46 °C · 277.46°C (rough estimate)
- Density
- 1.4564 · 1.4564 (rough estimate)
- refractive index
- 1.51 · 1.5100 (estimate)
- pka
- 11.52 · 11.52±0.50(Predicted)
- FDA UNII
- 66 Y4C4WEY · U66Y4C4WEY
Chemistry & industry
Applications
Uses2-Acetyl-5-nitropyrrole is used in the synthesis of a novel C-deoxyribonucleoside with the potential to be the counterpart of an artificial nucleoside pair. Also, may be used in the synthesis of pyrroles and indoles as potential antiviral agents.
Suppliers9 total
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
上海陶素生化科技有限公司021-33632979 · [email protected]
PT CHEM GROUP LIMITED+86-85511178; +86-85511178 · [email protected]
晟斯化工科技（上海）有限公司+86 13590492756 · [email protected]
江西弗莱医药科技有限公司15870833005 · [email protected]
杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Related reactions
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No reaction records under the current filter.
Compound notes
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