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(2,5-Dichlorophenyl)Hydrazine
CAS: 305-15-7 | C6H6Cl2N2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
305-15-7
Molecular Formula:
C6H6Cl2N2
Molecular Mass:
177.03 g/mol
Names and Synonyms:
(2,5-Dichlorophenyl)Hydrazine
Hydrazine, (2,5-dichlorophenyl)-
(2,5-Dichlorophenyl)hydrazine
NSC 6102
N-(2,5-Dichlorophenyl)hydrazine
Identifiers:
SMILES:
NNc1cc(Cl)ccc1Cl
InChI:
InChI=1S/C6H6Cl2N2/c7-4-1-2-5(8)6(3-4)10-9/h1-3,10H,9H2
Key Properties
Melting Point
254-256 °C @ Solvent: Acetic acid
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 | 177.03 g/mol | CAS Common Chemistry |
| 177.03400000000002 g/mol | RDKit | |
| 175.990803552 g/mol | RDKit | |
| Canonical SMILES | ClC1=CC=C(Cl)C(=C1)NN | CAS Common Chemistry |
| InChI | InChI=1S/C6H6Cl2N2/c7-4-1-2-5(8)6(3-4)10-9/h1-3,10H,9H2 | CAS Common Chemistry |
| InChI Key | InChIKey=LZKWWERBNXLGLI-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 254-256 °C @ Solvent: Acetic acid | CAS Common Chemistry |
| Name | (2,5-Dichlorophenyl)hydrazine | CAS Common Chemistry |
| Heavy Atom Count | 10 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 38.05 Ų | RDKit |
| LogP | 2.279 | RDKit |
| Molar Refractivity | 44.27210000000001 | RDKit |
