Basic information
- CAS
32116-24-8- Standard SMILES
CC(=O)c1cc([N+](=O)[O-])c[nH]1- InChIKey
DBXRYIUQTXMTEV-UHFFFAOYSA-N- Molecular formula
- C6H6N2O3
- Average molar mass
- 154.12 g/mol
- Monoisotopic mass
- 154.03784206
Names & identifiers
- Preferred name
- 2-Acetyl-4-nitropyrrole
- IUPAC
- 1-(4-nitro-1H-pyrrol-2-yl)ethanone
- English name
- 2-Acetyl-4-nitro-1H-pyrrole
- Molecular formula
- C6H6N2O3
- Molecular weight
- 154.12
Names & synonyms
2-Acetyl-4-nitropyrrole32116-24-82-Acetyl-4-nitro-1H-pyrrole1-(4-nitro-1H-pyrrol-2-yl)ethanone1-(4-nitro-1H-pyrrol-2-yl)ethan-1-oneEthanone, 1-(4-nitro-1H-pyrrol-2-yl)-KETONE, METHYL (4-NITRO-2-PYRROLYL)Pyrrole, 2-acetyl-4-nitro-NSC 21605BRN 0138204Ketone, methyl 4-nitropyrrol-2-ylNSC21605
Show more names
1-(4-Nitro-1H-pyrrol-2-yl)ethan-1-one, 2-Ethanoyl-4-nitro-1H-pyrrole
4-nitro-2-acetylpyrroleDTXSID20185904NSC-21605AKOS017518252DB-260607
Database identifiers
- CAS
32116-24-8- PubChem CID
- 36065
- DTXSID
DTXSID20185904- Nikkaji
- J71.236A
Properties
Computed structural properties
- XLogP
- 0.6
- 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
- 197 °C · 197 °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
- 11.82 · 11.82±0.50(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302+H312+H332-H315-H319-H335
- Precautionary statements
- 280 · P280
- HS Code
- 2933998090 · 2933998090
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 2933998090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302+H312+H332-H315-H319-H335
- Precautionary statements
- P280
Chemistry & industry
Applications
Uses2-Acetyl-4-nitropyrrole is used in the synthesis of pyrroles and indoles as potential antiviral agents.
Suppliers4 total
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]
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
0 records
No reaction records under the current filter.
Compound notes
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