HuagongsheHuagongshe Chemistry Print Report · For research reference only
6-Amino-3-chloropyridazine
3-AMINO-6-CHLOROPYRIDAZINE · 6-AMino-3-chloropyridazine · 3-Amino-6-chloropyradazine · 6-Chloropyridazin-3-amine, 3-Amino-6-chloro-1,2-diazine · 3-Amino-6-chL · oropyridazine · BUTTPARK 44\01-57 · TIMTEC-BB SBB005487
Identifiers & Physical Properties
| CAS No. | 5469-69-2 |
|---|---|
| Molecular formula | C4H4ClN3 |
| Average molar mass | 129.55 g/mol |
| Monoisotopic mass | 129.00937481 g/mol |
| SMILES | Nc1ccc(Cl)nn1 |
| InChIKey | DTXVKPOKPFWSFF-UHFFFAOYSA-N |
| PubChem CID | 21643 |
| ChEBI | CHEBI:169879 |
| EC No. | 226-796-1 |
| DTXSID | DTXSID7063928 |
Chemical & Physical Properties
| XLogP | 0.3 |
|---|---|
| Topological polar surface area | 51.8 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 3 |
| Rotatable bonds | 0 |
| Heavy atoms | 8 |
| Formal charge | 0 |
| Complexity | 77.7 |
| SpringerMaterials Properties | Nuclear quadrupole resonance spectroscopy |
| Melting point | 210 °C |
| Boiling point | 363.2±22.0 °C(Predicted) |
| Density | 1.437±0.06 g/cm3(Predicted) |
| Storage conditions | Keep in dark place,Sealed in dry,Room Temperature |
| Solubility | DMSO (Slightly), Methanol (Slightly, Heated) |
| Physical state | Solid |
| pKa (acidity coefficient) | 4.06±0.10(Predicted) |
| Color | Light Brown to Brown |
| BRN | 110918 |
| InChI | InChI=1S/C4H4ClN3/c5-3-1-2-4(6)8-7-3/h1-2H,(H2,6,8) |
| InChIKey | DTXVKPOKPFWSFF-UHFFFAOYSA-N |
| SMILES | C1(N)=NN=C(Cl)C=C1 |
| CAS DataBase Reference | 5469-69-2(CAS DataBase Reference) |
| FDA UNII | IJS443SLZG |
| EPA Substance Registry System | 3-Pyridazinamine, 6-chloro- (5469-69-2) |
| GHS pictogram | GHS07 |
| Signal word | Warning |
| GHS hazard statements | H302-H315-H319-H335 |
| GHS precautionary statements | P280a-P304+P340-P405-P501a-P261-P305+P351+P338-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313 |
| Hazard symbols | Xi,Xn |
| Risk statements (R) | 36/37/38-20/21/22-22 |
| Safety statements (S) | 26-36/37/39-22-36 |
| Water hazard class (WGK) | 3 |
| Hazard Note | Irritant |
| TSCA inventory status | TSCA listed |
| Customs code | 29339900 |
| REACH registrations | Active |
Safety & Regulations
| GHS classification | WarningH302 (80.7%): 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)Aggregated GHS information provided per 57 reports by companies from 14 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatory information | Status: Active Update: 18-06-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/31269 |
| Hazard Classes and Categories | Acute Tox. 4 (80.7%) |
| Water hazard class (WGK) | 3 |
| TSCA inventory status | TSCA listed |
| Customs code | 29339900 |
| Risk statements (R) | 36/37/38-20/21/22-22 |
| Signal word | Warning |
| GHS pictogram | GHS07 |
| Hazard symbols | Xi,Xn |
| hazard_note | Irritant |
| Safety statements (S) | 26-36/37/39-22-36 |
| GHS hazard statements | H302-H315-H319-H335 |
| REACH registrations | Active |
| GHS precautionary statements | P280a-P304+P340-P405-P501a-P261-P305+P351+P338-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313 |
Applications & Uses
Uses
3-Amino-6-chloropyridazine is a biochemical reagent that can be used as a biological material or organic compound for life science related research.