1,4-Bis(4-nitrophenoxy)butane
Basic information
- CAS
14467-68-6- Standard SMILES
O=[N+]([O-])c1ccc(OCCCCOc2ccc([N+](=O)[O-])cc2)cc1- InChIKey
KYECJWDYCBVFHN-UHFFFAOYSA-N- Molecular formula
- C16H16N2O6
- Average molar mass
- 332.31 g/mol
- Monoisotopic mass
- 332.10083623
Names & identifiers
- Preferred name
- 1,4-Bis(4-nitrophenoxy)butane
- IUPAC
- 1-nitro-4-[4-(4-nitrophenoxy)butoxy]benzene
- English name
- 1-nitro-4-[4-(4-nitrophenoxy)butoxy]benzene
- Molecular formula
- C16H16N2O6
- Molecular weight
- 332.30804
Names & synonyms
1,4-Bis(4-nitrophenoxy)butane14467-68-6RefChem:220197653-255-01-Nitro-4-[4-(4-nitrophenoxy)butoxy]benzeneBenzene, 1,1'-[1,4-butanediylbis(oxy)]bis[4-nitro-Maybridge1_005963HMS558H01DTXSID70345718KYECJWDYCBVFHN-UHFFFAOYSA-N1,4-bis[4,4'-nitrophenoxy]butaneAKOS024334065
Show more names
1,4-Butan-di-ol, 1,4-O-bis[4-nitrophenyl]-1-Nitro-4-[4-(4-nitrophenoxy)butoxy]benzene #1,1'-[Butane-1,4-diylbis(oxy)]bis(4-nitrobenzene)
Database identifiers
- CAS
14467-68-6- PubChem CID
- 606604
- DTXSID
DTXSID70345718- EC Number
- 653-255-0
- Nikkaji
- J516.349H
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 110 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 354
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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