1-(Dodecyloxy)-2-nitrobenzene
Basic information
- CAS
83027-71-8- Standard SMILES
CCCCCCCCCCCCOc1ccccc1[N+](=O)[O-]- InChIKey
DXCTUMLYTQODSP-UHFFFAOYSA-N- Molecular formula
- C18H29NO3
- Average molar mass
- 307.4 g/mol
- Monoisotopic mass
- 307.21474379
Names & identifiers
- Preferred name
- 1-(Dodecyloxy)-2-nitrobenzene
- IUPAC
- 1-dodecoxy-2-nitrobenzene
- English name
- 1-Dodecyloxy-2-nitrobenzene
- Molecular formula
- C18H29NO3
- Molecular weight
- 307.43
Names & synonyms
83027-71-81-Dodecyloxy-2-nitrobenzene1-(Dodecyloxy)-2-nitrobenzeneDodecyl 2-nitrophenyl ether2-Nitrophenyl dodecyl ether1-dodecoxy-2-nitrobenzene1-dodecoxy-2-nitro-benzeneMFCD00024221ETH 217Benzene, 1-(dodecyloxy)-2-nitro-o-nitrophenyl dodecyl etherSCHEMBL2304857
Show more names
1-dodecoxy-2-nitro-benzene - [D71444]1-Dodecyloxy-2-nitrobenzene, 2-Nitrophenyl dodecyl ether, ETH 217Dodecyl 2-nitrophenyl ether,1-Dodecyloxy-2-nitrobenzene, 2-Nitrophenyl dodecyl ether, ETH 217
SCHEMBL30517741DTXSID40337928DXCTUMLYTQODSP-UHFFFAOYSA-N1-(Dodecyloxy)-2-nitrobenzene #AKOS024319104AS-75567SY277367DB-056678
Database identifiers
- CAS
83027-71-8- PubChem CID
- 545589
- DTXSID
DTXSID40337928- Nikkaji
- J460.748A
Properties
Computed structural properties
- XLogP
- 7.3
- Topological polar surface area
- 55.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 12
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 278
Physicochemical properties
- Boiling point
- 218 °C1.5 · 218 °C1.5 mm Hg(lit.)
- Density
- 0.999 g/mL · 0.999 g/mL at 20 °C(lit.)
- refractive index
- 20 · n20/D 1.503
- Flash point
- 109 °C · 109 °C
- storage temp.
- Store at room temperature
- Appearance
- Off-white to light yellow Solid-Liquid Mixture
- BRN
- 3350321 · 3350321
- InChI
- 1S/C18H29NO3/c1-2-3-4-5-6-7-8-9-10-13-16-22-18-15-12-11-14-17(18)19(20)21/h11-12,14-15H,2-10,13,16H2,1H3
- InChIKey
- DXCTUMLYTQODSP-UHFFFAOYSA-N
- SMILES
- CCCCCCCCCCCCOc1ccccc1[N+]([O-])=O
- UNSPSC Code
- 26111700 · 26111700
- NACRES
- 61 · NB.61
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
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
- F
- 9
- PPE
- Eyeshields, Gloves
- wgk
- 3
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 23-24/25
- Storage Class
- 10 - Combustible liquids
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P280-P301+P312-P302+P352-P305+P351+P338
Chemistry & industry
Applications
UsesIt was used to enhance extraction of nonpolar drugs during a study to demonstrate different approaches of basic drugs to maximize extraction recovery using electro membrane extraction method.
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…