chempirical

Methyl nitrate

CH3NO3CAS 598-58-377.04 g/mol

Open in Covalent MOL file
ON+OO−
Nitro

Properties

Molecular formula
CH3NO3
Molar mass
77.04 g/mol
Exact mass
77.0113 Da
Density
1.208 g/mL (at 20 °C)
Melting point
−83 °C
logP
-0.18Crippen estimate
Polar surface area
52.4 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
1

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
598-58-3
SMILES
CO[N+](=O)[O-]
InChIKey
LRMHVVPPGGOAJQ-UHFFFAOYSA-N
InChI
InChI=1S/CH3NO3/c1-5-2(3)4/h1H3

Weigh it out

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Reactions

Work with Methyl nitrate

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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Isopropyl nitrate1712-64-743 % similar Ethyl nitrate625-58-143 % similar Ethylene glycol dinitrate628-96-643 % similar Propyl nitrate627-13-440 % similar Diethylene glycol dinitrate693-21-038 % similar Pentaerythritol tetranitrate78-11-538 % similar Butyl nitrate928-45-037 % similar Amyl nitrate1002-16-036 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook