O-Nitroanisole
Properties
- Molecular formula
- C7H7NO3
- Molar mass
- 153.14 g/mol
- Exact mass
- 153.0426 Da
- Density
- 1.254 g/mL (at 20 °C)
- Melting point
- 9.4 °C
- Boiling point
- 277 °C
- Flash point
- 142 °C (closed cup)
- Water solubility
- slightly soluble
- logP
- 1.60Crippen estimate
- Polar surface area
- 52.4 Ų
- H-bond donors / acceptors
- 0 / 3
- Rotatable bonds
- 2
Hazards
Danger
- H302 Harmful if swallowedAcute toxicity, oral
- H350 May cause cancerCarcinogenicity
Harmonised EU classification (CLP Annex VI, index 609-047-00-7), via PubChem.
Precautionary statements
P203, P264, P270, P280, P301+P317, P318, P330, P405, P501
Identifiers
CAS number
91-23-6SMILES
COc1ccccc1[N+](=O)[O-]InChIKey
CFBYEGUGFPZCNF-UHFFFAOYSA-NInChI
InChI=1S/C7H7NO3/c1-11-7-5-3-2-4-6(7)8(9)10/h2-5H,1H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
12 names
- Benzene, 1-methoxy-2-nitro-
- Anisole, o-nitro-
- 1-Methoxy-2-nitrobenzene
- 2-Methoxynitrobenzene
- o-Nitrophenyl methyl ether
- 1-Nitro-2-methoxybenzene
- 2-Nitroanisole
- 2-Methoxy-1-nitrobenzene
- 2-Nitromethoxybenzene
- o-Methoxynitrobenzene
- o-Nitrobenzene methyl ether
- NSC 5506
Work with O-Nitroanisole
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-Methoxy-2-methyl-3-nitrobenzene4837-88-170 % similar
2-Methoxy-6-nitrobenzenamine16554-45-368 % similar
2-Bromo-3-nitroanisole67853-37-668 % similar
1,2-Dimethoxy-4,5-dinitrobenzene3395-03-763 % similar
1,1′-[1,2-Ethanediylbis(oxy)]bis[2-nitrobenzene]51661-19-963 % similar
2,4-Dinitroanisole119-27-762 % similar
2,4-Dimethoxy-1-nitrobenzene4920-84-762 % similar
1-Ethoxy-2-nitrobenzene610-67-362 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.