Nitroethylene

C2H3NO2CAS 3638-64-073.05 g/mol

Open in Covalent MOL file
N+OO−
AlkeneNitro

Properties

Molecular formula
C2H3NO2
Molar mass
73.05 g/mol
Exact mass
73.0164 Da
Density
1.073 g/mL (at 13.8 °C)
Melting point
−55.5 °C
Boiling point
98.5 °C
logP
0.41Crippen estimate
Polar surface area
43.1 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1

Hazards

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

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Identifiers

CAS number
3638-64-0
SMILES
C=C[N+](=O)[O-]
InChIKey
RPMXALUWKZHYOV-UHFFFAOYSA-N
InChI
InChI=1S/C2H3NO2/c1-2-3(4)5/h2H,1H2
Characterization data

Calculated from the structure, in the form journals print them.

¹H NMR
Predicted ¹H NMR (400 MHz, CDCl₃) δ 6.80 (dd, J = 16.8, 10.8 Hz, 1H), 6.41 (dd, J = 16.8, 1.4 Hz, 1H), 6.18 (dd, J = 10.8, 1.4 Hz, 1H).
¹³C NMR
Predicted ¹³C NMR (101 MHz, CDCl₃) δ 145.6, 122.4.
[M + H]+
[M + H]+ Calcd for C2H4NO2 74.0237
[M + Na]+
[M + Na]+ Calcd for C2H3NNaO2 96.0056
[M − H]−
[M − H]− Calcd for C2H2NO2 72.0091
Elemental analysis
Anal. Calcd for C2H3NO2: C, 32.88; H, 4.14; N, 19.17.

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Names and synonyms

5 names
  • Ethene, nitro-
  • Ethylene, nitro-
  • 1-Nitroethylene
  • Nitroethene
  • 1-Nitroethene

Work with Nitroethylene

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

1,1-Bis(methylthio)-2-nitroethylene13623-94-440 % similar Beryllium nitrate13597-99-437 % similar N,N-Dimethyl-2-nitroethenamine1190-92-736 % similar Nitrate14797-55-835 % similar 4-Hydroxy-B-nitrostyrene3179-08-633 % similar β-Nitrostyrene102-96-532 % similar Beryllium nitrate tetrahydrate13510-48-032 % similar Nitric acid, mercury(1+) salt, hydrate (1:1:2)14836-60-332 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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