Back to Search
3-Chloro-6-Phenylpyridazine
CAS: 20375-65-9 | C10H7ClN2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
20375-65-9
Molecular Formula:
C10H7ClN2
Molecular Mass:
190.63 g/mol
Names and Synonyms:
3-Chloro-6-Phenylpyridazine
Pyridazine, 3-chloro-6-phenyl-
3-Chloro-6-phenylpyridazine
3-Phenyl-6-chloropyridazine
6-Phenyl-3-chloropyridazine
NSC 28739
6-Chloro-3-phenylpyridazine
Identifiers:
SMILES:
Clc1ccc(-c2ccccc2)nn1
InChI:
InChI=1S/C10H7ClN2/c11-10-7-6-9(12-13-10)8-4-2-1-3-5-8/h1-7H
Key Properties
Melting Point
158-160 °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 | 190.63 g/mol | CAS Common Chemistry |
| 190.633 g/mol | RDKit | |
| 190.029775904 g/mol | RDKit | |
| Canonical SMILES | ClC=1N=NC(=CC1)C2=CC=CC=C2 | CAS Common Chemistry |
| InChI | InChI=1S/C10H7ClN2/c11-10-7-6-9(12-13-10)8-4-2-1-3-5-8/h1-7H | CAS Common Chemistry |
| InChI Key | InChIKey=BUBRFWDEAVIFMV-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 158-160 °C | CAS Common Chemistry |
| Name | 3-Chloro-6-phenylpyridazine | CAS Common Chemistry |
| Heavy Atom Count | 13 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 25.78 Ų | RDKit |
| LogP | 2.7970000000000015 | RDKit |
| Molar Refractivity | 52.478000000000016 | RDKit |
