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4-Hydrazinobenzenesulfonic Acid
CAS: 98-71-5 | C6H8N2O3S
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
98-71-5
Molecular Formula:
C6H8N2O3S
Molecular Mass:
188.21 g/mol
Names and Synonyms:
4-Hydrazinobenzenesulfonic Acid
Benzenesulfonic acid, 4-hydrazinyl-
Benzenesulfonic acid, p-hydrazino-
Benzenesulfonic acid, 4-hydrazino-
4-Hydrazinylbenzenesulfonic acid
p-Hydrazinobenzenesulfonic acid
p-Sulfophenylhydrazine
Phenylhydrazine-p-sulfonic acid
4-Sulfophenylhydrazine
Phenylhydrazine-4-sulfonic acid
4-Hydrazinobenzenesulfonic acid
p-Hydrazinophenylsulfonic acid
NSC 1608
Sulfanilic acid hydrazine
Identifiers:
SMILES:
NNc1ccc(S(=O)(=O)O)cc1
InChI:
InChI=1S/C6H8N2O3S/c7-8-5-1-3-6(4-2-5)12(9,10)11/h1-4,8H,7H2,(H,9,10,11)
Key Properties
Melting Point
286 °C
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 | 188.21 g/mol | CAS Common Chemistry |
| 188.208 g/mol | RDKit | |
| 188.025563116 g/mol | RDKit | |
| Canonical SMILES | O=S(=O)(O)C1=CC=C(C=C1)NN | CAS Common Chemistry |
| InChI | InChI=1S/C6H8N2O3S/c7-8-5-1-3-6(4-2-5)12(9,10)11/h1-4,8H,7H2,(H,9,10,11) | CAS Common Chemistry |
| InChI Key | InChIKey=IOMZCWUHFGMSEJ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 286 °C | CAS Common Chemistry |
| Name | 4-Hydrazinobenzenesulfonic acid | CAS Common Chemistry |
| Heavy Atom Count | 12 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 3 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 92.42 Ų | RDKit |
| LogP | 0.21890000000000004 | RDKit |
| Molar Refractivity | 44.066700000000004 | RDKit |
