HuagongsheHuagongshe Chemistry Print Report · For research reference only
3-Amino-4-bromo-6-chloropyridazine
3-Amino-4-bromo-6-chL · 3-AMino-4-broMo-6-chlorop... · 4-Bromo-6-chloro-3-pyridazinamine · 3-PyridazinaMine,4-broMo-6-chloro- · 4-bromo-6-chloro-3-pyridazineamine · 3-Amino-4-bromo-6-chloropyridazine · 3-Amino-4-bromo-6-chloropyridazine 98% · 3-Amino-4-bromo-6-chloropyridazine ISO 9001：2015 REACH
Identifiers & Physical Properties
| CAS No. | 446273-59-2 |
|---|---|
| Molecular formula | C4H3BrClN3 |
| Average molar mass | 208.44 g/mol |
| Monoisotopic mass | 206.91988688 g/mol |
| SMILES | Nc1nnc(Cl)cc1Br |
| InChIKey | FGOWNGCSUSKHQI-UHFFFAOYSA-N |
| PubChem CID | 22024419 |
| EC No. | 801-508-2 |
| DTXSID | DTXSID50621663 |
Chemical & Physical Properties
| XLogP | 1.1 |
|---|---|
| Topological polar surface area | 51.8 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 3 |
| Rotatable bonds | 0 |
| Heavy atoms | 9 |
| Formal charge | 0 |
| Complexity | 102 |
| Boiling point | 385.4±37.0 °C(Predicted) |
| Density | 1.960 |
| Storage conditions | under inert gas (nitrogen or Argon) at 2–8 °C |
| pKa (acidity coefficient) | 1.93±0.10(Predicted) |
| Physical state | powder |
| Color | Light brown to brown |
| InChI | InChI=1S/C4H3BrClN3/c5-2-1-3(6)8-9-4(2)7/h1H,(H2,7,9) |
| InChIKey | FGOWNGCSUSKHQI-UHFFFAOYSA-N |
| SMILES | C1(N)=NN=C(Cl)C=C1Br |
| UNSPSC Code | 12352200 |
| NACRES | NA.21 |
| GHS pictogram | GHS06 |
| Signal word | Danger |
| GHS hazard statements | H301-H319-H335-H312+H332-H315 |
| GHS precautionary statements | P280-P305+P351+P338-P362+P364 |
| Hazard symbols | T |
| Risk statements (R) | 25 |
| Safety statements (S) | 45 |
| UN transport number | UN2811 |
| Water hazard class (WGK) | WGK 3 |
| Customs code | 2933998090 |
| Storage class | 11 - Combustible Solids |
Safety & Regulations
| GHS classification | DangerH301+H311+H331 (16.7%): Toxic if swallowed, in contact with skin or if inhaled [Danger Acute toxicity, oralacute toxicity, dermalacute toxicity, inhalation]P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 6 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. 3 (16.7%) |
| Water hazard class (WGK) | WGK 3 |
| UN transport number | UN2811 |
| Customs code | 2933998090 |
| Risk statements (R) | 25 |
| Signal word | Danger |
| GHS pictogram | GHS06 |
| Hazard symbols | T |
| Safety statements (S) | 45 |
| Storage class | 11 - Combustible Solids |
| GHS hazard statements | H301-H319-H335-H312+H332-H315 |
| GHS precautionary statements | P280-P305+P351+P338-P362+P364 |
Applications & Uses
Uses
4-Bromo-6-chloropyridazin-3-amine is a compound involved in the preparation of novel potent imidazo[1,2-b]pyridazine PDE10a inhibitors.