1,6-Bis(4-nitrophenoxy)hexane
Basic information
- CAS
7511-70-8- Standard SMILES
O=[N+]([O-])c1ccc(OCCCCCCOc2ccc([N+](=O)[O-])cc2)cc1- InChIKey
WRMYGZIKCXNMQO-UHFFFAOYSA-N- Molecular formula
- C18H20N2O6
- Average molar mass
- 360.4 g/mol
- Monoisotopic mass
- 360.13213636
Names & identifiers
- Preferred name
- 1,6-Bis(4-nitrophenoxy)hexane
- IUPAC
- 1-nitro-4-[6-(4-nitrophenoxy)hexoxy]benzene
- English name
- 1-nitro-4-[6-(4-nitrophenoxy)hexoxy]benzene
- Molecular formula
- C12H2N2O11
- Molecular weight
- 350.15108
Names & synonyms
1,6-bis(4-nitrophenoxy)hexaneRefChem:417545653-224-11-nitro-4-[6-(4-nitrophenoxy)hexoxy]benzene7511-70-8CCG-740NSC31387SCHEMBL10554981DTXSID70283424WRMYGZIKCXNMQO-UHFFFAOYSA-NNSC-31387AKOS024430393
Show more names
SR-01000634787-11,1'-[Hexane-1,6-diylbis(oxy)]bis(4-nitrobenzene)1-Nitro-4-([6-(4-nitrophenoxy)hexyl]oxy)benzene #n-Hexan-1,6-diol, o,o'-bis[4-nitrophenyl]-, ether
Database identifiers
- CAS
7511-70-8- PubChem CID
- 233200
- DTXSID
DTXSID70283424- EC Number
- 653-224-1
- Nikkaji
- J1.255.762K
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 110 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 9
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 380
Physicochemical properties
- Symbol(GHS)
- 9 · GHS09
- Signal word
- Warning
- Hazard statements
- 400 · H400
- 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.
Hazard information
Hazard Classes and CategoriesAquatic Acute 1 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS09
- Hazard statements
- H400
- Precautionary statements
- P273-P391-P501
Suppliers
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Related reactions
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Compound notes
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