Nitroethane
Properties
- Molecular formula
- C2H5NO2
- Molar mass
- 75.07 g/mol
- Exact mass
- 75.0320 Da
- Density
- 1.0448 g/mL (at 25 °C)
- Melting point
- −89.5 °C
- Boiling point
- 114–115 °C
- pKa
- 8.6
- Flash point
- 28 °C (closed cup)
- Water solubility
- 45 g/L (20 °C)
- logP
- 0.28Crippen estimate
- Polar surface area
- 43.1 Ų
- H-bond donors / acceptors
- 0 / 2
- Rotatable bonds
- 1
Hazards
Warning
- H226 Flammable liquid and vaporFlammable liquids
- H302 Harmful if swallowedAcute toxicity, oral
- H332 Harmful if inhaledAcute toxicity, inhalation
Harmonised EU classification (CLP Annex VI), via PubChem.
Precautionary statements
P210, P233, P240, P241, P242, P243, P261, P264, P270, P271, P280, P301+P317, P303+P361+P353, P304+P340, P317, P330, P370+P378, P403+P235, P501
Identifiers
CAS number
79-24-3SMILES
CC[N+](=O)[O-]InChIKey
MCSAJNNLRCFZED-UHFFFAOYSA-NInChI
InChI=1S/C2H5NO2/c1-2-3(4)5/h2H2,1H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
2 names
- Ethane, nitro-
- NSC 8800
Safety data sheets
2 stored sheets list this compound in section 3, matched by the CAS number 79-24-3. Each row opens the sheet with its composition and PDF.
Work with Nitroethane
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-Nitropropane108-03-252 % similar
1-Nitrobutane627-05-448 % similar
1,4-Dinitrobutane4286-49-145 % similar
Bromonitromethane563-70-243 % similar
2-Nitroethanol625-48-939 % similar
Ethyl nitroacetate626-35-738 % similar
Methyl 2-nitroacetate2483-57-036 % similar
Phenylnitromethane622-42-433 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds