1,4-Dimethyl-2-nitrobenzene
Properties
- Molecular formula
- C8H9NO2
- Molar mass
- 151.17 g/mol
- Exact mass
- 151.0633 Da
- Density
- 1.1228 g/mL (at 25 °C)
- Melting point
- −25 °C
- Boiling point
- 240.5 °C
- Flash point
- 93.3 °C
- Water solubility
- < 1 g/L (18.9 °C)
- logP
- 2.21Crippen estimate
- Polar surface area
- 43.1 Ų
- H-bond donors / acceptors
- 0 / 2
- Rotatable bonds
- 1
Hazards
Warning
- H302+H312+H332 Harmful if swallowed, in contact with skin or if inhaled97.2% of notifiers
- H302 Harmful if swallowed97.2% of notifiers
- H312 Harmful in contact with skin97.2% of notifiers
- H332 Harmful if inhaled97.2% of notifiers
- H411 Toxic to aquatic life with long lasting effects97.2% of notifiers
Aggregated from 107 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, P391, P501
Identifiers
CAS number
89-58-7SMILES
Cc1ccc(C)c([N+](=O)[O-])c1InChIKey
BSFHJMGROOFSRA-UHFFFAOYSA-NInChI
InChI=1S/C8H9NO2/c1-6-3-4-7(2)8(5-6)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
11 names
- Benzene, 1,4-dimethyl-2-nitro-
- p-Xylene, 2-nitro-
- 2,5-Dimethylnitrobenzene
- 2-Nitro-1,4-dimethylbenzene
- 2,5-Dimethyl-1-nitrobenzene
- 2-Nitro-p-xylene
- Nitro-p-xylene
- 1-Nitro-2,5-dimethylbenzene
- 1,4-Dimethylnitrobenzene
- NSC 5591
- 2-Nitro-4-xylene
Work with 1,4-Dimethyl-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
4-Nitro-m-xylene89-87-279 % similar
3,4-Dinitrotoluene610-39-972 % similar
4-Iodo-3-nitrotoluene5326-39-669 % similar
2,4-Dinitrotoluene121-14-268 % similar
4-Iodo-2-nitrotoluene41252-97-566 % similar
4-Fluoro-1-methyl-2-nitrobenzene446-10-666 % similar
4-Methyl-3-nitroaniline119-32-464 % similar
4-Methyl-2-nitrophenol119-33-564 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.