Basic information
- CAS
26258-70-8- Standard SMILES
CCOc1ccc(C(c2ccc(OCC)cc2)C(C)[N+](=O)[O-])cc1- InChIKey
TZAHJOSARIOWIQ-UHFFFAOYSA-N- Molecular formula
- C19H23NO4
- Average molar mass
- 329.4 g/mol
- Monoisotopic mass
- 329.16270821
Overview
easily degradable non-halogenated insecticide
Names & identifiers
- Preferred name
- 1,1'-(2-Nitropropylidene)bis(4-ethoxybenzene)
- IUPAC
- 1-ethoxy-4-[1-(4-ethoxyphenyl)-2-nitropropyl]benzene
- English name
- 1,1-bis(p-ethoxyphenyl)-2-nitropropane
- Molecular formula
- C19H23NO4
- Molecular weight
- 329.39
Names & synonyms
1,1-Bis(p-ethoxyphenyl)-2-nitropropane26258-70-81,1'-(2-Nitropropylidene)bis(4-ethoxybenzene)DTXSID20897338GH-74RefChem:70993DTXCID001326704Benzene, 1,1'-(2-nitropropylidene)bis(4-ethoxy-GH 74Benzene, 1,1'-(2-nitropropylidene)bis[4-ethoxy-OMS 1356BRN 2061088
Show more names
1,1-bis(4-Ethoxyphenyl)-2-nitropropane
AI3-27990Propane, 1,1-bis(p-ethoxyphenyl)-2-nitro-1,1-bis-(p-ethoxyphenyl)-2-nitropropane1,1'-(2-Nitropropane-1,1-diyl)bis(4-ethoxybenzene)
Database identifiers
- CAS
26258-70-8- PubChem CID
- 33441
- DTXSID
DTXSID20897338- Nikkaji
- J851.844K
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 64.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 342
Experimental & physicochemical properties
LogP3.45
Physicochemical properties
- Boiling point
- 466.98 °C · 466.98°C (rough estimate)
- Density
- 1.2012 · 1.2012 (rough estimate)
- refractive index
- 1.5 · 1.5000 (estimate)
- pka
- 7.66 · 7.66±0.19(Predicted)
- Water Solubility
- 0.36 mg/L · 0.36mg/L(room temperature)
- Toxicity
- 50 oral · LD50 oral in mouse: > 1gm/kg
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
- Toxicity
- LD50 oral in mouse: > 1gm/kg
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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