2-Nitrobenzofuran
Basic information
- CAS
33094-66-5- Standard SMILES
O=[N+]([O-])c1cc2ccccc2o1- InChIKey
RSZMTXPFGDUHSE-UHFFFAOYSA-N- Molecular formula
- C8H5NO3
- Average molar mass
- 163.13 g/mol
- Monoisotopic mass
- 163.02694302
Names & identifiers
- Preferred name
- 2-Nitrobenzofuran
- IUPAC
- 2-nitro-1-benzofuran
- English name
- 2-nitrobenzofuran
- Molecular formula
- C8H5NO3
- Molecular weight
- 163.13
Names & synonyms
2-Nitrobenzofuran33094-66-5DTXSID80186750RefChem:88712DTXCID201092412-nitro-1-benzofuranBENZOFURAN, 2-NITRO-MFCD00459786nitrobenzofuranNSC 170697BRN 0136254R 5144
Show more names
CHEMBL7438SCHEMBL8474844-17-00-00481 (Beilstein Handbook Reference)NSC1706972-nitrobenzo[b]furan2-Nitro-benzofuranSCHEMBL11642576AKOS006271665
Database identifiers
- CAS
33094-66-5- PubChem CID
- 36328
- DTXSID
DTXSID80186750- ChEMBL
CHEMBL7438- Nikkaji
- J76.299G
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 59 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 189
Physicochemical properties
- Melting point
- 134 °C · 134°C
- Boiling point
- 290.19 °C · 290.19°C (rough estimate)
- Density
- 1.4043 · 1.4043 (rough estimate)
- refractive index
- 1.516 · 1.5160 (estimate)
- storage temp.
- Sealed in dry,Room Temperature
- Appearance
- Brown to reddish brown Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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