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1,2-Diformylhydrazine
CAS: 628-36-4 | C2H4N2O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
628-36-4
Molecular Formula:
C2H4N2O2
Molecular Weight:
88.06599999999999 g/mol
Names and Synonyms:
1,2-Diformylhydrazine
Synonym
1,2-Hydrazinedicarboxaldehyde
Synonym
Hydrazine, 1,2-diformyl-
Synonym
Bicarbamaldehyde
Synonym
1,2-Diformylhydrazine
Synonym
Diformylhydrazine
Synonym
N,N′-Diformylhydrazine
Synonym
s-Diformylhydrazine
Synonym
Diformohydrazide
Synonym
s-Diformohydrazide
Synonym
Diformylhydrazide
Synonym
NSC 54729
Synonym
N′-Formylformic hydrazine
Synonym
Identifiers:
SMILES:
OC=NN=CO
InChI:
InChI=1S/C2H4N2O2/c5-1-3-4-2-6/h1-2H,(H,3,5)(H,4,6)
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
Physical Properties
Property | Value | Source |
---|---|---|
molecular_mass | 88.07 g/mol | Legacy Database |
wikipedia_url | https://en.wikipedia.org/wiki/1,2-Diformylhydrazine None | Legacy Database |
cas-canonical-smile | O=CNNC=O None | Legacy Database |
cas-inchi | InChI=1S/C2H4N2O2/c5-1-3-4-2-6/h1-2H,(H,3,5)(H,4,6) None | Legacy Database |
cas-inchi-key | InChIKey=POVXOWVFLAAVBH-UHFFFAOYSA-N None | Legacy Database |
cas-melting-point | 156 °C None | Legacy Database |
cas-name | 1,2-Hydrazinedicarboxaldehyde None | Legacy Database |
wikipedia-name | 1,2-Diformylhydrazine None | Legacy Database |
LogP | 0.07399999999999995 | RDKit |
Molecular
Property | Value | Source |
---|---|---|
Molecular Weight | 88.06599999999999 g/mol | RDKit |
Exact
Property | Value | Source |
---|---|---|
Exact Molecular Weight | 88.027277368 g/mol | RDKit |
Heavy
Property | Value | Source |
---|---|---|
Heavy Atom Count | 6 count | RDKit |
Hydrogen
Property | Value | Source |
---|---|---|
Hydrogen Bond Acceptors | 2 count | RDKit |
Hydrogen Bond Donors | 2 count | RDKit |
Rotatable
Property | Value | Source |
---|---|---|
Rotatable Bonds | 1 count | RDKit |
Aromatic
Property | Value | Source |
---|---|---|
Aromatic Ring Count | 0 count | RDKit |
Topological
Property | Value | Source |
---|---|---|
Topological Polar Surface Area | 65.18 Ų | RDKit |
Molar
Property | Value | Source |
---|---|---|
Molar Refractivity | 22.2416 | RDKit |