HuagongsheHuagongshe Chemistry Print Report · For research reference only
Aminopyridazine
3-AMINOPYRIDAZINE · aminopyridazine · Pyridazine-3-amine · Pyridazin-3-ylamine · 3-PYRIDAZINAMINE · 2-AMINOPYRIDAZINE · Pyridazin-2-amine · PYRIDAZIN-3-AMINE
Identifiers & Physical Properties
| CAS No. | 5469-70-5 |
|---|---|
| Molecular formula | C4H5N3 |
| Average molar mass | 95.1 g/mol |
| Monoisotopic mass | 95.04834717 g/mol |
| SMILES | Nc1cccnn1 |
| InChIKey | LETVJWLLIMJADE-UHFFFAOYSA-N |
| PubChem CID | 230373 |
| ChEMBL | CHEMBL5170155 |
| EC No. | 639-365-1 |
| DTXSID | DTXSID30282256 |
Chemical & Physical Properties
| XLogP | -1.2 |
|---|---|
| Topological polar surface area | 51.8 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 3 |
| Rotatable bonds | 0 |
| Heavy atoms | 7 |
| Formal charge | 0 |
| Complexity | 54 |
| Melting point | 171 °C |
| Boiling point | 326.2±15.0 °C(Predicted) |
| Density | 1.216±0.06 g/cm3(Predicted) |
| Storage conditions | Keep in dark place,Sealed in dry,Room Temperature |
| Solubility | soluble in Methanol |
| pKa (acidity coefficient) | 4.88±0.10(Predicted) |
| Physical state | Solid |
| Color | White to pale yellow |
| InChI | InChI=1S/C4H5N3/c5-4-2-1-3-6-7-4/h1-3H,(H2,5,7) |
| InChIKey | LETVJWLLIMJADE-UHFFFAOYSA-N |
| SMILES | C1(N)=NN=CC=C1 |
| CAS DataBase Reference | 5469-70-5(CAS DataBase Reference) |
| UNSPSC Code | 12352100 |
| NACRES | NA.22 |
| GHS pictogram | GHS07 |
| Signal word | Warning |
| GHS hazard statements | H302-H319 |
| GHS precautionary statements | P264-P270-P280-P301+P312-P305+P351+P338-P337+P313 |
| Hazard symbols | Xi,Xn |
| Risk statements (R) | 22-36 |
| Safety statements (S) | 26-24/25 |
| Water hazard class (WGK) | 3 |
| Hazard class | IRRITANTAcute Tox. 4 OralEye Irrit. 2 |
| Customs code | 29339900 |
| Storage class | 11 - Combustible Solids |
Safety & Regulations
| GHS classification | WarningH302 (91.3%): Harmful if swallowed [Warning Acute toxicity, oral]H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 46 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (91.3%)Eye Irrit. 2A (100%) |
| Water hazard class (WGK) | 3 |
| Customs code | 29339900 |
| Risk statements (R) | 22-36 |
| Signal word | Warning |
| GHS pictogram | GHS07 |
| Hazard symbols | Xi,Xn |
| Safety statements (S) | 26-24/25 |
| Hazard class | IRRITANTAcute Tox. 4 OralEye Irrit. 2 |
| Storage class | 11 - Combustible Solids |
| GHS hazard statements | H302-H319 |
| GHS precautionary statements | P264-P270-P280-P301+P312-P305+P351+P338-P337+P313 |
Applications & Uses
Uses
It is an important raw material and intermediate used in organic synthesis, pharmaceuticals, agrochemicals and dyestuffs.