p-Octadecyloxynitrobenzene
Basic information
- CAS
123974-61-8- Standard SMILES
CCCCCCCCCCCCCCCCCCOc1ccc([N+](=O)[O-])cc1- InChIKey
JJZZSCOZPPVDBT-UHFFFAOYSA-N- Molecular formula
- C24H41NO3
- Average molar mass
- 391.6 g/mol
- Monoisotopic mass
- 391.30864417
Names & identifiers
- Preferred name
- p-Octadecyloxynitrobenzene
- IUPAC
- 1-nitro-4-octadecoxybenzene
- English name
- p-Nitrophenyl octadecyl ether
- Molecular formula
- C24H41NO3
- Molecular weight
- 391.59
Names & synonyms
123974-61-8p-OctadecyloxynitrobenzeneDTXSID60401317RefChem:367719DTXCID00352172p-Nitrophenyl octadecyl ether1-nitro-4-(octadecyloxy)benzene1-nitro-4-octadecoxybenzeneMFCD000246814-Nitrophenyl octadecyl ether1-nitro-4-octadecoxy-benzene4-nitro-1-octadecyloxybenzene
Show more names
Benzene, 1-nitro-4-(octadecyloxy)-
SCHEMBL9320146AKOS015839813AS-60031ST50410346D96025F342160
Database identifiers
- CAS
123974-61-8- PubChem CID
- 4258205
- DTXSID
DTXSID60401317
Properties
Computed structural properties
- XLogP
- 10.7
- Topological polar surface area
- 55.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 18
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 348
Physicochemical properties
- Boiling point
- 499.1 · 499.1±18.0 °C(Predicted)
- Density
- 0.964 · 0.964±0.06 g/cm3(Predicted)
- 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
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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