2-Butoxy-4-fluoro-1-nitrobenzene
Basic information
- CAS
28987-47-5- Standard SMILES
CCCCOc1cc(F)ccc1[N+](=O)[O-]- InChIKey
KFNYFOBLEIPMEZ-UHFFFAOYSA-N- Molecular formula
- C10H12FNO3
- Average molar mass
- 213.21 g/mol
- Monoisotopic mass
- 213.08012141
Names & identifiers
- Preferred name
- 2-Butoxy-4-fluoro-1-nitrobenzene
- IUPAC
- 2-butoxy-4-fluoro-1-nitrobenzene
- English name
- 2-Butoxy-4-fluoro-1-nitrobenzene
- Molecular formula
- C10H12FNO3
- Molecular weight
- 213.21
Names & synonyms
2-Butoxy-4-fluoro-1-nitrobenzene28987-47-5MFCD19684088Benzene, 2-butoxy-4-fluoro-1-nitro-SCHEMBL10477058DTXSID806118952-butoxy-4-fluoro-1-nitro-benzeneAKOS015888559BS-22190CS-0208955
Database identifiers
- CAS
28987-47-5- PubChem CID
- 21277366
- DTXSID
DTXSID80611895
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 55.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 207
Physicochemical properties
- Boiling point
- 293.3 · 293.3±20.0 °C(Predicted)
- Density
- 1.191 · 1.191±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-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
- P280-P305+P351+P338
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Compound notes
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