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2-Carboxyphenylhydrazine Hydrochloride
CAS: 52356-01-1 | C7H9ClN2O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
52356-01-1
Molecular Formula:
C7H9ClN2O2
Molecular Mass:
188.61 g/mol
Names and Synonyms:
2-Carboxyphenylhydrazine Hydrochloride
Benzoic acid, 2-hydrazinyl-, hydrochloride (1:1)
Benzoic acid, 2-hydrazino-, monohydrochloride
o-Hydrazinobenzoic acid hydrochloride
o-Hydrazinobenzoic acid monohydrochloride
2-Carboxyphenylhydrazine hydrochloride
2-Hydrazinobenzoic acid monohydrochloride
2-Hydrazinylbenzoic acid hydrochloride
Identifiers:
SMILES:
Cl.NNc1ccccc1C(=O)O
InChI:
InChI=1S/C7H8N2O2.ClH/c8-9-6-4-2-1-3-5(6)7(10)11;/h1-4,9H,8H2,(H,10,11);1H
Key Properties
Melting Point
189-190 °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 | 188.61 g/mol | CAS Common Chemistry |
| 188.61399999999998 g/mol | RDKit | |
| 188.035255208 g/mol | RDKit | |
| Canonical SMILES | Cl.O=C(O)C=1C=CC=CC1NN | CAS Common Chemistry |
| InChI | InChI=1S/C7H8N2O2.ClH/c8-9-6-4-2-1-3-5(6)7(10)11;/h1-4,9H,8H2,(H,10,11);1H | CAS Common Chemistry |
| InChI Key | InChIKey=ZGNNOFKURIXXRF-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 189-190 °C | CAS Common Chemistry |
| Name | 2-Carboxyphenylhydrazine hydrochloride | 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 | 48.4594 | RDKit |
