HuagongsheHuagongshe Chemistry Print Report · For research reference only
6-Chloro-2-methyl-2,3-dihydropyridazin-3-one
6-chloro-2-methylpyridazin-3(2H)-one · 6-chloro-2-methylpyridazin-3-one · 6-Chloro-2-Methyl-2H-pyridazin-3-one · 3(2H)-Pyridazinone, 6-chloro-2-methyl- · 6-chloro-2-methyl-2,3-dihydropyridazin-3-one - [C81076]
Identifiers & Physical Properties
| CAS No. | 10071-38-2 |
|---|---|
| Molecular formula | C5H5ClN2O |
| Average molar mass | 144.56 g/mol |
| Monoisotopic mass | 144.00904046 g/mol |
| SMILES | Cn1nc(Cl)ccc1=O |
| InChIKey | IMBNTYIRTCQBRJ-UHFFFAOYSA-N |
| PubChem CID | 2783607 |
| EC No. | 855-216-5 |
| DTXSID | DTXSID00382671 |
Chemical & Physical Properties
| XLogP | 0.5 |
|---|---|
| Topological polar surface area | 32.7 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 2 |
| Rotatable bonds | 0 |
| Heavy atoms | 9 |
| Formal charge | 0 |
| Complexity | 197 |
| Melting point | 92-94 °C |
| Boiling point | 210.7±23.0 °C(Predicted) |
| Density | 1.37±0.1 g/cm3(Predicted) |
| Storage conditions | under inert gas (nitrogen or Argon) at 2-8°C |
| pKa (acidity coefficient) | -1.47±0.70(Predicted) |
| Appearance | Light yellow to yellow Solid |
| InChI | InChI=1S/C5H5ClN2O/c1-8-5(9)3-2-4(6)7-8/h2-3H,1H3 |
| InChIKey | IMBNTYIRTCQBRJ-UHFFFAOYSA-N |
| SMILES | C1(=O)N(C)N=C(Cl)C=C1 |
| GHS pictogram | GHS07 |
| Signal word | Warning |
| GHS hazard statements | H335-H319-H302-H315 |
| GHS precautionary statements | P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362 |
Safety & Regulations
| GHS classification | WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (100%) |
| Signal word | Warning |
| GHS pictogram | GHS07 |
| GHS hazard statements | H335-H319-H302-H315 |
| GHS precautionary statements | P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362 |
Applications & Uses
Uses
6-Chloro-2-methylpyridazin-3(2H)-one is used in the preparation of histamine H3 receptor agonists for the treatment of sleeping disorders.