1-Ethoxy-2-nitrobenzene
Properties
- Molecular formula
- C8H9NO3
- Molar mass
- 167.16 g/mol
- Exact mass
- 167.0582 Da
- Density
- 1.1903 g/mL (at 15 °C)
- Melting point
- 2.2 °C
- Boiling point
- 267 °C
- logP
- 1.99Crippen estimate
- Polar surface area
- 52.4 Ų
- H-bond donors / acceptors
- 0 / 3
- Rotatable bonds
- 3
Hazards
No GHS classification is on file for this compound. That is not evidence that it is harmless.
Identifiers
CAS number
610-67-3SMILES
CCOc1ccccc1[N+](=O)[O-]InChIKey
XGLGESCVNJSAQY-UHFFFAOYSA-NInChI
InChI=1S/C8H9NO3/c1-2-12-8-6-4-3-5-7(8)9(10)11/h3-6H,2H2,1H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
8 names
- Benzene, 1-ethoxy-2-nitro-
- Phenetole, o-nitro-
- o-Nitrophenetole
- Ethyl o-nitrophenyl ether
- 2-Nitrophenetole
- 2-Ethoxynitrobenzene
- o-Nitrobenzene ethyl ether
- NSC 5404
Work with 1-Ethoxy-2-nitrobenzene
Predict the NMR spectrum1H and 13C shifts with multiplicities
Make a solutionWhat to weigh for any molarity and volume
Check drug-likenessLipinski, Veber and lead-likeness
Boiling point under vacuumAt any pressure, from its normal boiling point
Isotope patternExact mass and the mass spectrum pattern
Similar compounds
1,1′-[1,2-Ethanediylbis(oxy)]bis[2-nitrobenzene]51661-19-977 % similar
1-Butoxy-2-nitrobenzene7252-51-972 % similar
1-(2-Nitrophenoxy)octane37682-29-468 % similar
1,4-Diethoxy-2-nitrobenzene119-23-365 % similar
4-Ethoxy-3-nitropyridine1796-84-563 % similar
3-Ethoxy-2-nitropyridine74037-50-663 % similar
O-Nitroanisole91-23-662 % similar
4-Ethoxy-3-nitropyridine hydrochloride94602-04-759 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.