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Chloridazon
CAS: 1698-60-8 | C10H8ClN3O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
1698-60-8
Molecular Formula:
C10H8ClN3O
Molecular Mass:
221.65 g/mol
Names and Synonyms:
Chloridazon
3(2H)-Pyridazinone, 5-amino-4-chloro-2-phenyl-
5-Amino-4-chloro-2-phenyl-3(2H)-pyridazinone
HS 119-1
5-Amino-4-chloro-2,3-dihydro-3-oxo-2-phenylpyridazine
PCA
Phenazon
1-Phenyl-4-amino-5-chloropyridazin-6-one
1-Phenyl-4-amino-5-chloro-6-pyridazone
1-Phenyl-4-amino-5-chloropyridazone-6
1-Phenyl-4-amino-5-chlorpyridaz-6-one
Pyramine
Pyrazon
Phenazone
Phenazone (herbicide)
Pyramin
Pyramin (herbicide)
4-Amino-5-chloro-1-phenylpyridazone
5-Amino-4-chloro-2-phenyl-3(2H)-pyridazone
1-Phenyl-4-amino-5-chloro-6(1H)-pyridazinone
4-Amino-5-chloro-1-phenyl-6-pyridazone
5-Amino-4-chloro-2-phenyl-3-pyridazinone
4-Amino-5-chloro-1-phenyl-6-pyridazinone
5-Amino-4-chloro-2-phenyl-2H-pyridazin-3-one
BAS 11916H
PAC
Chloridazon
PAC (pesticide)
Chloridazone
Burex
BAS 13033
PCA (pesticide)
Suzon
Pyramin FL
Phenosane
Betoxon
Pyramin turbo
Identifiers:
SMILES:
Nc1cnn(-c2ccccc2)c(=O)c1Cl
InChI:
InChI=1S/C10H8ClN3O/c11-9-8(12)6-13-14(10(9)15)7-4-2-1-3-5-7/h1-6H,12H2
Key Properties
Melting Point
206 °C
CAS Common Chemistry
Density
1.54 g/cm³
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 | 221.65 g/mol | CAS Common Chemistry |
| 221.647 g/mol | RDKit | |
| 221.035589556 g/mol | RDKit | |
| Density | 1.54 g/cm³ | CAS Common Chemistry |
| 1.54 g/cm3 @ Temp: 20 °C | CAS Common Chemistry | |
| Canonical SMILES | O=C1C(Cl)=C(N)C=NN1C=2C=CC=CC2 | CAS Common Chemistry |
| InChI | InChI=1S/C10H8ClN3O/c11-9-8(12)6-13-14(10(9)15)7-4-2-1-3-5-7/h1-6H,12H2 | CAS Common Chemistry |
| InChI Key | InChIKey=WYKYKTKDBLFHCY-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 206 °C | CAS Common Chemistry |
| Name | Chloridazon | CAS Common Chemistry |
| Heavy Atom Count | 15 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 60.91 Ų | RDKit |
| LogP | 1.4681 | RDKit |
| Molar Refractivity | 59.25640000000001 | RDKit |
