p-Nitrophenyl nonyl ether
Basic information
- CAS
86702-46-7- Standard SMILES
CCCCCCCCCOc1ccc([N+](=O)[O-])cc1- InChIKey
JLSCIQUWVGKSDH-UHFFFAOYSA-N- Molecular formula
- C15H23NO3
- Average molar mass
- 265.35 g/mol
- Monoisotopic mass
- 265.1677936
Names & identifiers
- Preferred name
- p-Nitrophenyl nonyl ether
- IUPAC
- 1-nitro-4-nonoxybenzene
- English name
- P-NITROPHENYL NONYL ETHER
- Molecular formula
- C15H23NO3
- Molecular weight
- 265.35
Names & synonyms
p-Nitrophenyl nonyl ether86702-46-74-Nitrophenyl nonyl etherBenzene, 1-nitro-4-(nonyloxy)-DTXSID10235780RefChem:169365DTXCID40158271JLSCIQUWVGKSDH-UHFFFAOYSA-N1-Nitro-4-(nonyloxy)benzene1-nitro-4-nonoxybenzeneMFCD000436124-nitro-1-nonyloxybenzene
Show more names
TIMTEC-BB SBB008291P-NONYLOXYNITROBENZENE1-(4-NITROPHENOXY)NONANE
1-nitro-4-nonoxy-benzeneSCHEMBL50524311-Nitro-4-(nonyloxy)benzene #4-Nitrophenyl nonyl ether, 98%SBB008291AKOS015839924AKOS015916575AS-81460
Database identifiers
- CAS
86702-46-7- PubChem CID
- 145113
- DTXSID
DTXSID10235780- Nikkaji
- J1.901.815F
Properties
Computed structural properties
- XLogP
- 5.8
- Topological polar surface area
- 55.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 9
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 232
Physicochemical properties
- Boiling point
- 188 · 188-189 °C/7 mmHg (lit.)
- Density
- 1.029 g/mL · 1.029 g/mL at 25 °C (lit.)
- refractive index
- 20 · n20/D 1.525(lit.)
- Flash point
- 230 °F · >230 °F
- Stability
- Stable. Incompatible with strong bases, strong oxidizing agents.
- InChI
- 1S/C15H23NO3/c1-2-3-4-5-6-7-8-13-19-15-11-9-14(10-12-15)16(17)18/h9-12H,2-8,13H2,1H3
- InChIKey
- JLSCIQUWVGKSDH-UHFFFAOYSA-N
- SMILES
- CCCCCCCCCOc1ccc(cc1)[N+]([O-])=O
- UNSPSC Code
- 12352100 · 12352100
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
- WGK Germany
- 3 · 3
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
- wgk
- 3
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
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