1,10-Bis(3-nitrophenoxy)decane
Basic information
- CAS
5226-71-1- Standard SMILES
O=[N+]([O-])c1cccc(OCCCCCCCCCCOc2cccc([N+](=O)[O-])c2)c1- InChIKey
CHPGQYKZPYAEGS-UHFFFAOYSA-N- Molecular formula
- C22H28N2O6
- Average molar mass
- 416.5 g/mol
- Monoisotopic mass
- 416.19473662
Names & identifiers
- Preferred name
- 1,10-Bis(3-nitrophenoxy)decane
- IUPAC
- 1-nitro-3-[10-(3-nitrophenoxy)decoxy]benzene
- English name
- 1-nitro-3-{[10-(3-nitrophenoxy)decyl]oxy}benzene
- Molecular formula
- C22H28N2O6
- Molecular weight
- 416.46752
Names & synonyms
1,10-bis(3-nitrophenoxy)decaneRefChem:4103425226-71-1653-260-8SCHEMBL14028449AKOS0244303851-nitro-3-{[10-(3-nitrophenoxy)decyl]oxy}benzene
Database identifiers
- CAS
5226-71-1- PubChem CID
- 5206933
- EC Number
- 653-260-8
Properties
Computed structural properties
- XLogP
- 6.8
- Topological polar surface area
- 110 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 13
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 449
Physicochemical properties
- Symbol(GHS)
- 9 · GHS09
- Signal word
- Warning
- Hazard statements
- 410 · H410
- Precautionary statements
- 273 · P273-P391-P501
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]
P273, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAquatic Acute 1 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS09
- Hazard statements
- H410
- Precautionary statements
- P273-P391-P501
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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