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3-Chloro-6-Hydrazinopyridazine
CAS: 17284-97-8 | C4H5ClN4
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
17284-97-8
Molecular Formula:
C4H5ClN4
Molecular Weight:
144.565 g/mol
Names and Synonyms:
3-Chloro-6-Hydrazinopyridazine
Pyridazine, 3-chloro-6-hydrazinyl-
Pyridazine, 3-chloro-6-hydrazino-
3(2H)-Pyridazinone, 6-chloro-, hydrazone
3-Chloro-6-hydrazinylpyridazine
3-Hydrazino-6-chloropyridazine
6-Chloro-3-hydrazinopyridazine
3-Chloro-6-hydrazinopyridazine
(3-Chloro-6-pyridazinyl)hydrazine
(6-Chloro-3-pyridazinyl)hydrazine
ABC 907
NSC 367616
Identifiers:
SMILES:
NN=c1ccc(Cl)n[nH]1
InChI:
InChI=1S/C4H5ClN4/c5-3-1-2-4(7-6)9-8-3/h1-2H,6H2,(H,7,9)
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 |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
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 | 144.57 g/mol | Legacy Database |
| cas-canonical-smile | ClC1=NNC(=NN)C=C1 None | Legacy Database |
| cas-inchi | InChI=1S/C4H5ClN4/c5-3-1-2-4(7-6)9-8-3/h1-2H,6H2,(H,7,9) None | Legacy Database |
| cas-inchi-key | InChIKey=FXYQRYGWWZKUFV-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 135-137 °C @ Solvent: Water None | Legacy Database |
| cas-name | 3-Chloro-6-hydrazinopyridazine None | Legacy Database |
| LogP | -0.16250000000000026 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 144.565 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 144.02027384 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 9 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 3 count | RDKit |
| Hydrogen Bond Donors | 2 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 0 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 1 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 67.06 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 33.348099999999995 | RDKit |
