HuagongsheHuagongshe Chemistry Print Report · For research reference only
Methyl 6-chloropyridazine-3-carboxylate
KML-38 · CML-037 · AKOS 91997 · TERT-BUTYL 4-(2-AM... · Methyl 3-chloropyridazine... · 6-Chloro-3-(methoxycarbonyl)pyridazine · Methyl 6-chloropyridazine-3-carboxylate · Methyl 3-chloropyridazine-6-carboxylate
Identifiers & Physical Properties
| CAS No. | 65202-50-8 |
|---|---|
| Molecular formula | C6H5ClN2O2 |
| Average molar mass | 172.57 g/mol |
| Monoisotopic mass | 172.00395508 g/mol |
| SMILES | COC(=O)c1ccc(Cl)nn1 |
| InChIKey | FPKXYXKLOWAIOX-UHFFFAOYSA-N |
| PubChem CID | 12379801 |
| EC No. | 691-623-2 |
| DTXSID | DTXSID10495387 |
Chemical & Physical Properties
| XLogP | -0.2 |
|---|---|
| Topological polar surface area | 52.1 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 4 |
| Rotatable bonds | 2 |
| Heavy atoms | 11 |
| Formal charge | 0 |
| Complexity | 154 |
| Melting point | 145 °C(Solv: ligroine (8032-32-4)) |
| Boiling point | 310.9±22.0 °C(Predicted) |
| Density | 1.372±0.06 g/cm3(Predicted) |
| Storage conditions | under inert gas (nitrogen or Argon) at 2-8°C |
| Physical state | powder |
| pKa (acidity coefficient) | -1.06±0.10(Predicted) |
| Color | Grey |
| InChI | InChI=1S/C6H5ClN2O2/c1-11-6(10)4-2-3-5(7)9-8-4/h2-3H,1H3 |
| InChIKey | FPKXYXKLOWAIOX-UHFFFAOYSA-N |
| SMILES | C1(C(OC)=O)=NN=C(Cl)C=C1 |
| GHS pictogram | GHS07 |
| Signal word | Warning |
| GHS hazard statements | H302-H315-H319-H332-H335 |
| GHS precautionary statements | P261-P280-P305+P351+P338 |
| Hazard symbols | Xi |
| Hazard class | IRRITANT |
| Customs code | 29335990 |
Safety & Regulations
| GHS classification | WarningH302 (60%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 5 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (60%) |
| Customs code | 29335990 |
| Signal word | Warning |
| GHS pictogram | GHS07 |
| Hazard symbols | Xi |
| Hazard class | IRRITANT |
| GHS hazard statements | H302-H315-H319-H332-H335 |
| GHS precautionary statements | P261-P280-P305+P351+P338 |
Applications & Uses
Uses
6-Chlorpyridazine-3-carboxylic acid methyl ester is a carboxylic acid ester compound that can be used as a key intermediate in the synthesis of compounds with lipid-lowering, anti-tumor proliferation activity, and pesticides.