Back to Search
2-Chlorobenzoic Acid Hydrazide
CAS: 5814-05-1 | C7H7ClN2O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
5814-05-1
Molecular Formula:
C7H7ClN2O
Molecular Mass:
170.60 g/mol
Names and Synonyms:
2-Chlorobenzoic Acid Hydrazide
Benzoic acid, 2-chloro-, hydrazide
Benzoic acid, o-chloro-, hydrazide
o-Chlorobenzoic acid hydrazide
2-Chlorobenzoic acid hydrazide
o-Chlorobenzoylhydrazine
o-Chlorobenzhydrazide
(2-Chlorobenzoyl)hydrazine
2-Chlorobenzohydrazide
2-Chlorobenzoic hydrazide
o-Chlorobenzoyl hydrazide
2-Chlorobenzhydrazide
2-Chlorobenzoyl hydrazide
NSC 522531
2-Chlorobenzene-1-carbohydrazide
Identifiers:
SMILES:
NN=C(O)c1ccccc1Cl
InChI:
InChI=1S/C7H7ClN2O/c8-6-4-2-1-3-5(6)7(11)10-9/h1-4H,9H2,(H,10,11)
Key Properties
Melting Point
118-120 °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 | 170.60 g/mol | CAS Common Chemistry |
| 170.59899999999996 g/mol | RDKit | |
| 170.024690524 g/mol | RDKit | |
| Canonical SMILES | O=C(NN)C=1C=CC=CC1Cl | CAS Common Chemistry |
| InChI | InChI=1S/C7H7ClN2O/c8-6-4-2-1-3-5(6)7(11)10-9/h1-4H,9H2,(H,10,11) | CAS Common Chemistry |
| InChI Key | InChIKey=KPPNLSKVTKSSTG-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 118-120 °C | CAS Common Chemistry |
| Name | 2-Chlorobenzoic acid hydrazide | CAS Common Chemistry |
| Heavy Atom Count | 11 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 58.61 Ų | RDKit |
| LogP | 1.5183 | RDKit |
| Molar Refractivity | 44.805200000000006 | RDKit |
