1,3-Bis(3-nitrophenoxy)benzene
Basic information
- CAS
54060-31-0- Standard SMILES
O=[N+]([O-])c1cccc(Oc2cccc(Oc3cccc([N+](=O)[O-])c3)c2)c1- InChIKey
NYKPGQHPZCGOFF-UHFFFAOYSA-N- Molecular formula
- C18H12N2O6
- Average molar mass
- 352.3 g/mol
- Monoisotopic mass
- 352.06953611
Names & identifiers
- Preferred name
- 1,3-Bis(3-nitrophenoxy)benzene
- IUPAC
- 1-nitro-3-[3-(3-nitrophenoxy)phenoxy]benzene
- English name
- 1,3-bis(3-nitrophenoxy)benzene
- Molecular formula
- C18H12N2O6
- Molecular weight
- 352.3
Names & synonyms
1,3-Bis(3-nitrophenoxy)benzeneBenzene, 1,3-bis(3-nitrophenoxy)-EINECS 258-945-1DTXSID4068905RefChem:72504DTXCID8041583258-945-154060-31-0A3JA3W73XCSCHEMBL62733331,3-Bis(m-nitrophenoxy)benzeneSCHEMBL30043252
Show more names
NYKPGQHPZCGOFF-UHFFFAOYSA-NDB-311429NS000329341,1'-[1,3-Phenylenebis(oxy)]bis(3-nitrobenzene)
Database identifiers
- CAS
54060-31-0- PubChem CID
- 104683
- DTXSID
DTXSID4068905- UNII
- A3JA3W73XC
- EC Number
- 258-945-1
- Nikkaji
- J279.570A
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 110 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 449
Physicochemical properties
- FDA UNII
- 3 JA3W73XC · A3JA3W73XC
- EPA Substance Registry System
- 1 · 1,3-Bis(3-nitrophenoxy)benzene (54060-31-0)
- TSCA
- TSCA listed
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
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzene, 1,3-bis(3-nitrophenoxy)-: INACTIVE
Upstream & downstream products
Downstream products
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Related reactions
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Compound notes
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