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(4-Nitrophenyl)Hydrazine
CAS: 100-16-3 | C6H7N3O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
100-16-3
Molecular Formula:
C6H7N3O2
Molecular Mass:
153.14 g/mol
Names and Synonyms:
(4-Nitrophenyl)Hydrazine
Hydrazine, (4-nitrophenyl)-
Hydrazine, (p-nitrophenyl)-
(4-Nitrophenyl)hydrazine
(p-Nitrophenyl)hydrazine
p-Hydrazinonitrobenzene
NSC 4079
1-(4-Nitrophenyl)hydrazine
Identifiers:
SMILES:
NNc1ccc([N+](=O)[O-])cc1
InChI:
InChI=1S/C6H7N3O2/c7-8-5-1-3-6(4-2-5)9(10)11/h1-4,8H,7H2
Key Properties
Melting Point
158 °C (decomp)
CAS Common Chemistry
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
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 153.14 g/mol | CAS Common Chemistry |
| 153.14100000000002 g/mol | RDKit | |
| 153.053826464 g/mol | RDKit | |
| Canonical SMILES | O=N(=O)C1=CC=C(C=C1)NN | CAS Common Chemistry |
| InChI | InChI=1S/C6H7N3O2/c7-8-5-1-3-6(4-2-5)9(10)11/h1-4,8H,7H2 | CAS Common Chemistry |
| InChI Key | InChIKey=KMVPXBDOWDXXEN-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 158 °C (decomp) | CAS Common Chemistry |
| Name | (4-Nitrophenyl)hydrazine | CAS Common Chemistry |
| Heavy Atom Count | 11 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 81.19 Ų | RDKit |
| LogP | 0.8804000000000001 | RDKit |
| Molar Refractivity | 40.90650000000001 | RDKit |
