Nitromethane
Properties
- Molecular formula
- CH3NO2
- Molar mass
- 61.04 g/mol
- Exact mass
- 61.0164 Da
- Density
- 1.1322 g/mL (at 25 °C)
- Melting point
- −29 °C
- Boiling point
- 101.2 °C
- pKa
- 10.21
- Flash point
- 35 °C (closed cup)
- Water solubility
- 100 g/L
- logP
- -0.11Crippen estimate
- Polar surface area
- 43.1 Ų
- H-bond donors / acceptors
- 0 / 2
- Rotatable bonds
- 0
Hazards
Warning
- H226 Flammable liquid and vaporFlammable liquids
- H302 Harmful if swallowedAcute toxicity, oral
Harmonised EU classification (CLP Annex VI, index 609-036-00-7), via PubChem.
Precautionary statements
P210, P233, P240, P241, P242, P243, P264, P270, P280, P301+P317, P303+P361+P353, P330, P370+P378, P403+P235, P501
Identifiers
CAS number
75-52-5SMILES
C[N+](=O)[O-]InChIKey
LYGJENNIWJXYER-UHFFFAOYSA-NInChI
InChI=1S/CH3NO2/c1-2(3)4/h1H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
4 names
- Methane, nitro-
- Nitrocarbol
- NSC 428
- NM
Reactions
Safety data sheets
2 stored sheets list this compound in section 3, matched by the CAS number 75-52-5. Each row opens the sheet with its composition and PDF.
Work with Nitromethane
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
Stereoisomers, salts and isotopologues
The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.
Similar compounds
2-Methyl-2-nitropropane594-70-735 % similar
Nitrate14797-55-831 % similar
Tetramethylammonium nitrate1941-24-830 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds