化工社化工社 化学情報印刷レポート · 研究参考用
4,6-ジクロロ-3-メチルピリダジン
4,6-ジクロロ-3-メチルピリダジン · 3,5-Dichloro-6-methylpyridazine · 4,6-dichloro-3-Methylpyridazine · Pyridazine, 4,6-dichloro-3-methyl-
識別子と物理属性
| CAS No. | 68240-43-7 |
|---|---|
| 分子式 | C5H4Cl2N2 |
| 平均分子量 | 163 g/mol |
| 単同位体質量 | 161.97515349 g/mol |
| SMILES | Cc1nnc(Cl)cc1Cl |
| InChIKey | SWLRTVHQASOVRZ-UHFFFAOYSA-N |
| PubChem CID | 58717049 |
| EC No. | 807-544-5 |
| DTXSID | DTXSID50729739 |
| 現地名 | 4,6-ジクロロ-3-メチルピリダジン |
化学・物理的性質
| XLogP | 1.8 |
|---|---|
| 極性表面積 | 25.8 |
| 水素結合供与体数 | 0 |
| 水素結合受容体数 | 2 |
| 回転可能結合数 | 0 |
| 重原子数 | 9 |
| 形式電荷 | 0 |
| 複雑度 | 99 |
| 沸点 | 295.1±35.0 °C(Predicted) |
| 密度 | 1.404±0.06 g/cm3(Predicted) |
| 貯蔵条件 | under inert gas (nitrogen or Argon) at 2-8°C |
| pKa（酸解離定数） | 0.02±0.10(Predicted) |
| InChI | InChI=1S/C5H4Cl2N2/c1-3-4(6)2-5(7)9-8-3/h2H,1H3 |
| InChIKey | SWLRTVHQASOVRZ-UHFFFAOYSA-N |
| SMILES | C1(C)=NN=C(Cl)C=C1Cl |
安全性と法規制
| GHS 分類 | DangerH302 (80%): Harmful if swallowed [Warning Acute toxicity, oral]P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, P330, P332+P317, P337+P317, P362+P364, P363, 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 (80%) |
| 税関コード | 2933998090 |
用途
使用
4,6-Dichloro-3-methylpyridazine is a reagent in the preparation of URAT1 inhibitors which are used in the treatment of uric acid related disorders.