3-Nitrotoluene
Properties
- Molecular formula
- C7H7NO2
- Molar mass
- 137.14 g/mol
- Exact mass
- 137.0477 Da
- Density
- 1.1581 g/mL (at 20 °C)
- Melting point
- 15.5 °C
- Boiling point
- 231.9 °C
- logP
- 1.90Crippen estimate
- Polar surface area
- 43.1 Ų
- H-bond donors / acceptors
- 0 / 2
- Rotatable bonds
- 1
Identifiers
CAS number
99-08-1SMILES
Cc1cccc([N+](=O)[O-])c1InChIKey
QZYHIOPPLUPUJF-UHFFFAOYSA-NInChI
InChI=1S/C7H7NO2/c1-6-3-2-4-7(5-6)8(9)10/h2-5H,1H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
11 names
- Benzene, 1-methyl-3-nitro-
- Toluene, m-nitro-
- 1-Methyl-3-nitrobenzene
- m-Methylnitrobenzene
- MNT
- 3-Methylnitrobenzene
- 3-Methyl-1-nitrobenzene
- m-Mononitrotoluene
- m-Nitrotoluene
- NSC 9578
- 1-Nitro-3-methylbenzene
Reactions
Work with 3-Nitrotoluene
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
1,3-Dinitrobenzene99-65-069 % similar
1,3-Dimethyl-5-nitrobenzene99-12-764 % similar
Bis(3-nitrophenyl) disulfide537-91-761 % similar
Nitrobenzene98-95-359 % similar
4-Nitrotoluene99-99-059 % similar
1-Fluoro-3-nitrobenzene402-67-558 % similar
N,N-Dimethyl-3-nitroaniline619-31-858 % similar
3-Nitrophenol554-84-756 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds