Back to Search
Molecule
Benzoic Acid, 4-Hydrazinyl-, Hydrochloride (1:1)
CAS: 24589-77-3 · C7H9ClN2O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 24589-77-3
- Molecular Formula
- C7H9ClN2O2
- Molecular Mass
- 188.61 g/mol
Identifiers
CAS Registry Number
24589-77-3
SMILES
Cl.NNc1ccc(C(=O)O)cc1
InChI Key
XHLQMKQBCHYRLC-UHFFFAOYSA-N
InChI
InChI=1S/C7H8N2O2.ClH/c8-9-6-3-1-5(2-4-6)7(10)11;/h1-4,9H,8H2,(H,10,11);1H
Names and Synonyms
- Benzoic Acid, 4-Hydrazinyl-, Hydrochloride (1:1) Synonym
- Benzoic acid, 4-hydrazinyl-, hydrochloride (1:1) Synonym
- Benzoic acid, p-hydrazino-, monohydrochloride Synonym
- Benzoic acid, 4-hydrazino-, monohydrochloride Synonym
- Benzoic acid, p-hydrazino-, hydrochloride Synonym
- 4-Carboxyphenylhydrazinium chloride Synonym
- p-Carboxyphenylhydrazine hydrochloride Synonym
- 4-Carboxyphenylhydrazine hydrochloride Synonym
- p-Hydrazinobenzoic acid hydrochloride Synonym
- 4-Hydrazinobenzoic acid hydrochloride Synonym
- (4-Carboxyphenyl)hydrazine monohydrochloride Synonym
- 4-Hydrazinylbenzoic acid hydrochloride Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 188.61 g/mol | CAS Common Chemistry |
| 188.61399999999998 g/mol | RDKit | |
| 188.614 g/mol | RDKit | |
| 188.611 g/mol | chempirical lib | |
| Canonical SMILES | Cl.O=C(O)C1=CC=C(C=C1)NN | CAS Common Chemistry |
| InChI | InChI=1S/C7H8N2O2.ClH/c8-9-6-3-1-5(2-4-6)7(10)11;/h1-4,9H,8H2,(H,10,11);1H | CAS Common Chemistry |
| InChI Key | InChIKey=XHLQMKQBCHYRLC-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 235-236 °C @ Solvent: Water | CAS Common Chemistry |
| Name | Benzoic acid, 4-hydrazinyl-, hydrochloride (1:1) | CAS Common Chemistry |
| Heavy Atom Count | 12 | 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 | 1.0922 | RDKit |
| Molar Refractivity | 48.45940000000001 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 188.035255208 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
Convert
Quick conversion
MW = 188.61 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C7H9ClN2O2.
