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4-Hydrazinobenzoic Acid
CAS: 619-67-0 | C7H8N2O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
619-67-0
Molecular Formula:
C7H8N2O2
Molecular Mass:
152.15 g/mol
Names and Synonyms:
4-Hydrazinobenzoic Acid
Benzoic acid, 4-hydrazinyl-
Benzoic acid, p-hydrazino-
Benzoic acid, 4-hydrazino-
4-Hydrazinylbenzoic acid
(p-Carboxyphenyl)hydrazine
4-Hydrazinobenzoic acid
(4-Carboxyphenyl)hydrazine
p-Hydrazinobenzoic acid
NSC 3813
Identifiers:
SMILES:
NNc1ccc(C(=O)O)cc1
InChI:
InChI=1S/C7H8N2O2/c8-9-6-3-1-5(2-4-6)7(10)11/h1-4,9H,8H2,(H,10,11)
Key Properties
Melting Point
201-204 °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 | 152.15 g/mol | CAS Common Chemistry |
| 152.153 g/mol | RDKit | |
| 152.058577496 g/mol | RDKit | |
| Canonical SMILES | O=C(O)C1=CC=C(C=C1)NN | CAS Common Chemistry |
| InChI | InChI=1S/C7H8N2O2/c8-9-6-3-1-5(2-4-6)7(10)11/h1-4,9H,8H2,(H,10,11) | CAS Common Chemistry |
| InChI Key | InChIKey=PCNFLKVWBDNNOW-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 201-204 °C (decomp) | CAS Common Chemistry |
| Name | 4-Hydrazinobenzoic acid | CAS Common Chemistry |
| Heavy Atom Count | 11 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 3 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 75.35 Ų | RDKit |
| LogP | 0.6704000000000001 | RDKit |
| Molar Refractivity | 41.211400000000005 | RDKit |
