3-Nitro-o-xylene
Properties
- Molecular formula
- C8H9NO2
- Molar mass
- 151.16 g/mol
- Exact mass
- 151.0633 Da
- Density
- 1.1402 g/mL (at 20 °C)
- Melting point
- 15 °C
- Boiling point
- 240 °C
- Flash point
- 107.2 °C
- Water solubility
- < 1 g/L (21.1 °C)
- logP
- 2.21Crippen estimate
- Polar surface area
- 43.1 Ų
- H-bond donors / acceptors
- 0 / 2
- Rotatable bonds
- 1
Hazards
- H411 Toxic to aquatic life with long lasting effects71.9% of notifiers
Aggregated from 153 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P273, P391, P501
Identifiers
CAS number
83-41-0SMILES
Cc1cccc([N+](=O)[O-])c1CInChIKey
FVHAWXWFPBPFOS-UHFFFAOYSA-NInChI
InChI=1S/C8H9NO2/c1-6-4-3-5-8(7(6)2)9(10)11/h3-5H,1-2H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
7 names
- Benzene, 1,2-dimethyl-3-nitro-
- o-Xylene, 3-nitro-
- 1,2-Dimethyl-3-nitrobenzene
- 2,3-Dimethylnitrobenzene
- 2,3-Dimethyl-1-nitrobenzene
- 3-Nitro-o-xylol
- NSC 5402
Work with 3-Nitro-o-xylene
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
2,6-Dinitrotoluene606-20-281 % similar
2-Nitrotoluene88-72-271 % similar
2,3-Dinitrotoluene602-01-770 % similar
2-Chloro-1-methyl-3-nitrobenzene3970-40-968 % similar
2-Bromo-6-nitrotoluene55289-35-568 % similar
2-Methyl-3-nitroaniline603-83-868 % similar
1-Chloro-2-methyl-3-nitrobenzene83-42-168 % similar
2-Methyl-6-nitrophenol13073-29-566 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.