4-Nitro-o-xylene
Properties
- Molecular formula
- C8H9NO2
- Molar mass
- 151.16 g/mol
- Exact mass
- 151.0633 Da
- Density
- 1.117 g/mL
- Melting point
- 30–31 °C
- Boiling point
- 254 °C
- Flash point
- 107 °C
- Water solubility
- 1–5 g/L (15 °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 swallowed29.5% of notifiers
- H312 Harmful in contact with skin28.9% of notifiers
- H332 Harmful if inhaled28.9% of notifiers
Aggregated from 149 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, P501
Identifiers
CAS number
99-51-4SMILES
Cc1ccc([N+](=O)[O-])cc1CInChIKey
HFZKOYWDLDYELC-UHFFFAOYSA-NInChI
InChI=1S/C8H9NO2/c1-6-3-4-8(9(10)11)5-7(6)2/h3-5H,1-2H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
6 names
- Benzene, 1,2-dimethyl-4-nitro-
- o-Xylene, 4-nitro-
- 1,2-Dimethyl-4-nitrobenzene
- 4-Nitro-1,2-dimethylbenzene
- 3,4-Dimethyl-1-nitrobenzene
- NSC 66555
Work with 4-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
2,4-Dinitrotoluene121-14-272 % similar
1-Iodo-2-methyl-4-nitrobenzene5326-38-570 % similar
2-Iodo-1-methyl-4-nitrobenzene7745-92-870 % similar
2-Methyl-4-nitrophenol99-53-670 % similar
2-Chloro-4-nitrotoluene121-86-868 % similar
1-Chloro-2-methyl-4-nitrobenzene13290-74-968 % similar
2-Fluoro-1-methyl-4-nitrobenzene1427-07-268 % similar
2-Fluoro-5-nitrotoluene455-88-968 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.