Nitromesitylene
Properties
- Molecular formula
- C9H11NO2
- Molar mass
- 165.19 g/mol
- Exact mass
- 165.0790 Da
- Density
- 1.18 g/mL
- Melting point
- 44 °C
- Boiling point
- 255 °C
- logP
- 2.52Crippen estimate
- Polar surface area
- 43.1 Ų
- H-bond donors / acceptors
- 0 / 2
- Rotatable bonds
- 1
Identifiers
CAS number
603-71-4SMILES
Cc1cc(C)c([N+](=O)[O-])c(C)c1InChIKey
SCEKDQTVGHRSNS-UHFFFAOYSA-NInChI
InChI=1S/C9H11NO2/c1-6-4-7(2)9(10(11)12)8(3)5-6/h4-5H,1-3H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
11 names
- Benzene, 1,3,5-trimethyl-2-nitro-
- Mesitylene, 2-nitro-
- 1,3,5-Trimethyl-2-nitrobenzene
- 2,4,6-Trimethyl-1-nitrobenzene
- 2-Nitromesitylene
- 2,4,6-Trimethylnitrobenzene
- Mononitromesitylene
- 2-Nitro-1,3,5-trimethylbenzene
- 1-Nitro-2,4,6-trimethylbenzene
- 3,5-Dimethyl-4-nitrotoluene
- NSC 5413
Reactions
Work with Nitromesitylene
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-Dimethylnitrobenzene81-20-961 % similar
4-Nitro-M-xylene89-87-258 % similar
2,4-Dimethyl-6-nitrophenol14452-34-758 % similar
2,4-Dimethyl-6-nitroaniline1635-84-358 % similar
1,3-Dimethyl-5-nitrobenzene99-12-757 % similar
3,5-Dimethyl-4-nitropyridine 1-oxide14248-66-955 % similar
1,4-Dimethyl-2-nitrobenzene89-58-753 % similar
1-Chloro-3-methyl-2-nitrobenzene5367-26-052 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds