Basic information
- CAS
65019-14-9- Standard SMILES
O=Cc1occc1[N+](=O)[O-]- InChIKey
XPEJRQSXLRKGBZ-UHFFFAOYSA-N- Molecular formula
- C5H3NO4
- Average molar mass
- 141.08 g/mol
- Monoisotopic mass
- 141.00620758
Names & identifiers
- Preferred name
- 3-Nitrofuran-2-carbaldehyde
- IUPAC
- 3-nitrofuran-2-carbaldehyde
- English name
- 2-Furancarboxaldehyde, 3-nitro- (9CI)
- Molecular formula
- C5H3NO4
- Molecular weight
- 141.08
Names & synonyms
3-nitrofuran-2-carbaldehyde65019-14-9DTXSID10494911RefChem:281344DTXCID104457212-Furancarboxaldehyde, 3-nitro-2-Furancarboxaldehyde,3-nitro- (9CI)3-nitro-2-furaldehydeNifuratel Impurity 12SCHEMBL476333SCHEMBL1379603DB-281530
Show more names
NifuratelImpurity24Nifuratel impurities12Nifuratel Impurity 24 (nitrofurfural)2-Furancarboxaldehyde, 3-nitro- (9CI)
AI-942/25034003
Database identifiers
- CAS
65019-14-9- PubChem CID
- 12372312
- DTXSID
DTXSID10494911
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 76 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 152
Physicochemical properties
- Melting point
- 70.8 · 70.8-71.8 °C(Solv: ligroine (8032-32-4))
- Boiling point
- 298 · 298.0±25.0 °C(Predicted)
- Density
- 1.473 · 1.473±0.06 g/cm3(Predicted)
Chemistry & industry
Suppliers6 total
济南百隆化学有限公司[email protected] · [email protected]
怀化元研达生物技术有限责任公司18711085600 · [email protected]
怀化元研达生物技术有限责任公司18711085600; 18229999901 · [email protected]
深圳瑞恺德生物科技有限公司0755-61348847 17820674378 · [email protected]
上海择睿生物科技有限公司021-54580889 18321124657 · [email protected]
卡托研究化学公司+86-020-81960175-877 4000-868-328;4000-868-328 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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