4-Nitro-m-xylene
Properties
- Molecular formula
- C8H9NO2
- Molar mass
- 151.17 g/mol
- Exact mass
- 151.0633 Da
- Density
- 1.135 g/mL (at 15 °C)
- Melting point
- 9 °C
- Boiling point
- 247 °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
Warning
- H302 Harmful if swallowed98.7% of notifiers
Aggregated from 149 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P264, P270, P301+P317, P330, P501
Identifiers
CAS number
89-87-2SMILES
Cc1ccc([N+](=O)[O-])c(C)c1InChIKey
BBUPBICWUURTNP-UHFFFAOYSA-NInChI
InChI=1S/C8H9NO2/c1-6-3-4-8(9(10)11)7(2)5-6/h3-5H,1-2H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
8 names
- Benzene, 2,4-dimethyl-1-nitro-
- m-Xylene, 4-nitro-
- 2,4-Dimethyl-1-nitrobenzene
- 4-Nitro-1,3-dimethylbenzene
- 4-Nitro-1,3-xylene
- 1-Nitro-2,4-dimethylbenzene
- 1,3-Dimethyl-4-nitrobenzene
- NSC 50661
Work with 4-Nitro-m-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
1,4-Dimethyl-2-nitrobenzene89-58-779 % similar
3,4-Dinitrotoluene610-39-972 % similar
2-Chloro-4-methyl-1-nitrobenzene38939-88-766 % similar
3-Methyl-4-nitrophenol2581-34-264 % similar
4-Fluoro-2-methyl-1-nitrobenzene446-33-364 % similar
2-Fluoro-4-methyl-1-nitrobenzene446-34-464 % similar
4-Iodo-3-nitrotoluene5326-39-664 % similar
4-Chloro-2-methyl-1-nitrobenzene5367-28-264 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.