2-Nitrotoluene
Properties
- Molecular formula
- C7H7NO2
- Molar mass
- 137.14 g/mol
- Exact mass
- 137.0477 Da
- Density
- 1.1622 g/mL (at 19 °C)
- Melting point
- −10 °C
- Boiling point
- 222 °C
- Water solubility
- 650 mg/L (30 °C)
- logP
- 1.90Crippen estimate
- Polar surface area
- 43.1 Ų
- H-bond donors / acceptors
- 0 / 2
- Rotatable bonds
- 1
Hazards
Danger
- H302 Harmful if swallowedAcute toxicity, oral
- H340 May cause genetic defectsGerm cell mutagenicity
- H350 May cause cancerCarcinogenicity
- H361f *** Suspected of damaging fertilityReproductive toxicity
- H411 Toxic to aquatic life with long lasting effectsHazardous to the aquatic environment, long-term hazard
Harmonised EU classification (CLP Annex VI, index 609-065-00-5), via PubChem.
Precautionary statements
P203, P264, P270, P273, P280, P301+P317, P318, P330, P391, P405, P501
Identifiers
CAS number
88-72-2SMILES
Cc1ccccc1[N+](=O)[O-]InChIKey
PLAZTCDQAHEYBI-UHFFFAOYSA-NInChI
InChI=1S/C7H7NO2/c1-6-4-2-3-5-7(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
9 names
- Benzene, 1-methyl-2-nitro-
- Toluene, o-nitro-
- 1-Methyl-2-nitrobenzene
- o-Methylnitrobenzene
- o-Nitrotoluene
- 2-Methyl-1-nitrobenzene
- 2-Methylnitrobenzene
- o-Mononitrotoluene
- NSC 9577
Safety data sheets
One stored sheet lists this compound in section 3, matched by the CAS number 88-72-2. Each row opens the sheet with its composition and PDF.
Work with 2-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
3-Nitro-o-xylene83-41-071 % similar
2,3-Dinitrotoluene602-01-769 % similar
2-Chloro-1-methyl-3-nitrobenzene3970-40-967 % similar
1,2-Dinitrobenzene528-29-067 % similar
2-Methyl-6-nitrophenol13073-29-565 % similar
2-Bromo-3-nitrotoluene41085-43-265 % similar
2-Fluoro-1-methyl-3-nitrobenzene437-86-565 % similar
2-Methyl-6-nitroaniline570-24-165 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.