4-(2-Nitrophenoxy)benzonitrile
Basic information
- CAS
113344-23-3- Standard SMILES
N#Cc1ccc(Oc2ccccc2[N+](=O)[O-])cc1- InChIKey
AKLSEFOAGVCQDZ-UHFFFAOYSA-N- Molecular formula
- C13H8N2O3
- Average molar mass
- 240.21 g/mol
- Monoisotopic mass
- 240.05349212
Names & identifiers
- Preferred name
- 4-(2-Nitrophenoxy)benzonitrile
- IUPAC
- 4-(2-nitrophenoxy)benzonitrile
- English name
- 4-(2-Nitrophenoxy)benzonitrile
- Molecular formula
- C13H8N2O3
- Molecular weight
- 240.21
Names & synonyms
4-(2-nitrophenoxy)benzonitrile113344-23-3MFCD13238613SCHEMBL1340217DTXSID00429398AKLSEFOAGVCQDZ-UHFFFAOYSA-N2-(4-Cyanophenoxy)-1-nitrobenzene4-(2-nitrophenoxy)benzenecarbonitrileAKOS008568174BS-25465CS-0440995Benzonitrile, 4-(2-nitrophenoxy)-
Database identifiers
- CAS
113344-23-3- PubChem CID
- 9213435
- DTXSID
DTXSID00429398
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 78.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 336
Physicochemical properties
- Boiling point
- 386.2 · 386.2±27.0 °C(Predicted)
- Density
- 1.34 · 1.34±0.1 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
Suppliers
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Related reactions
5 records
Compound notes
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