HuagongsheHuagongshe Chemistry Print Report · For research reference only
Ethyl 6-chloropyridazine-3-carboxylate
ethyl 4-chloropyriMidine-2-carboxylate · Ethyl 6-chloropyridazine-3-carboxylate · 6-chlorodazine-3-ethyl formate · Ethyl 6-chloro-3-pyridazinecarboxylate · 6-Chloro-pyridazine-3-carboxylic acid ethyl ester · 3-Pyridazinecarboxylic acid, 6-chloro-, ethyl ester · 6-Chloro-pyridazine-3-carboxylic acid ethyl ester ISO 9001：2015 REACH
Identifiers & Physical Properties
| CAS No. | 75680-92-1 |
|---|---|
| Molecular formula | C7H7ClN2O2 |
| Average molar mass | 186.59 g/mol |
| Monoisotopic mass | 186.01960514 g/mol |
| SMILES | CCOC(=O)c1ccc(Cl)nn1 |
| InChIKey | GVSVPKDEHFOXSW-UHFFFAOYSA-N |
| PubChem CID | 10352425 |
| EC No. | 185-135-4 |
| DTXSID | DTXSID50438516 |
Chemical & Physical Properties
| XLogP | 0.1 |
|---|---|
| Topological polar surface area | 52.1 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 4 |
| Rotatable bonds | 3 |
| Heavy atoms | 12 |
| Formal charge | 0 |
| Complexity | 165 |
| LogP (partition coefficient) | 0.12 |
| Melting point | 147-149 °C |
| Boiling point | 320.1±22.0 °C(Predicted) |
| Density | 1.311±0.06 g/cm3(Predicted) |
| Storage conditions | under inert gas (nitrogen or Argon) at 2-8°C |
| Physical state | Crystalline Powder |
| pKa (acidity coefficient) | -0.94±0.10(Predicted) |
| Color | White to off-white |
| InChI | InChI=1S/C7H7ClN2O2/c1-2-12-7(11)5-3-4-6(8)10-9-5/h3-4H,2H2,1H3 |
| InChIKey | GVSVPKDEHFOXSW-UHFFFAOYSA-N |
| SMILES | C1(C(OCC)=O)=NN=C(Cl)C=C1 |
| GHS pictogram | GHS07 |
| Signal word | Warning |
| GHS hazard statements | H302-H315-H319-H335 |
| GHS precautionary statements | P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501 |
| Customs code | 29339980 |
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%) |
| Customs code | 29339980 |
| Signal word | Warning |
| GHS pictogram | GHS07 |
| GHS hazard statements | H302-H315-H319-H335 |
| GHS precautionary statements | P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501 |
Applications & Uses
Uses
Ethyl 6-Chloropyridazine-3-carboxylate is a useful research chemical compound used in the preparation of hetero-substituted pyridazine derivatives using alkylation of chloropyridazinecarboxylate followed by cross-coupling and heterocyclization.