化工社化工社 化学情報印刷レポート · 研究参考用
3,6-ジクロロピリダジン
3,6-ジクロロピリダジン · トリエチルヘキサノイン · 3,6‐ジクロロピリダジン · 3,6-dichlorpyridazine · 3,6-DichL · AURORA KA-6560 · IFLAB-BB F1918-0076 · 6-Dichloropyridazine
識別子と物理属性
| CAS No. | 141-30-0 |
|---|---|
| 分子式 | C4H2Cl2N2 |
| 平均分子量 | 148.98 g/mol |
| 単同位体質量 | 147.95950342 g/mol |
| SMILES | Clc1ccc(Cl)nn1 |
| InChIKey | GUSWJGOYDXFJSI-UHFFFAOYSA-N |
| PubChem CID | 67331 |
| EC No. | 205-478-6 |
| DTXSID | DTXSID4059704 |
| 現地名 | 3,6-ジクロロピリダジン |
化学・物理的性質
| XLogP | 1.7 |
|---|---|
| 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 | 8 |
| 形式電荷 | 0 |
| 複雑度 | 68.4 |
| 物質分類 | Nitrogen Compounds -> Other Aromatics (Nitrogen) |
| SpringerMaterials Properties | Schoenflies notation |
| LogP（分配係数） | 0.93 |
| Physical Description | Solid[Sigma-Aldrich MSDS] |
| 融点 | 65-69 °C (lit.) |
| 沸点 | 244.21°C (rough estimate) |
| 密度 | 1.6445 (rough estimate) |
| 屈折率 | 1.6300 (estimate) |
| 貯蔵条件 | Keep in dark place,Sealed in dry,Room Temperature |
| 溶解度 | 0.0012g/lクロロホルムに可溶。水に不溶。 |
| pKa（酸解離定数） | -1.18±0.10(Predicted) |
| 外観・状態 | 結晶性粉末 |
| 色 | 白～ほぼ白 |
| BRN | 111151 |
| InChI | InChI=1S/C4H2Cl2N2/c5-3-1-2-4(6)8-7-3/h1-2H |
| InChIKey | GUSWJGOYDXFJSI-UHFFFAOYSA-N |
| SMILES | C1(Cl)=NN=C(Cl)C=C1 |
| CAS データベース | 141-30-0(CAS DataBase Reference) |
| NISTの化学物質情報 | Pyridazine, 3,6-dichloro-(141-30-0) |
| EPAの化学物質情報 | Pyridazine, 3,6-dichloro- (141-30-0) |
化学的特性
off-white to brownish crystalline powder
安全性と法規制
| GHS 分類 | DangerH301 (81%): Toxic if swallowed [Danger Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P316, 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 58 reports by companies from 12 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.WarningH373: May causes damage to organs through prolonged or repeated exposure [Warning Specific target organ toxicity, repeated exposure] |
|---|---|
| 規制情報 | Status: Active Update: 05-11-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/32994 |
| 有害性の概要 | Causes somnolence, ataxia, and weight loss in inhalation lethal-concentration studies of ratsCauses somnolence and muscle weakness in oral lethal-dose studies of rats[RTECS] A skin and strong eye irritantToxic by ingestion[Sigma-Aldrich MSDS] See Maleic hydrazide and Pyrazon. |
| Hazard Classes and Categories | Acute Tox. 3 (81%)Specific target organ toxicity - Repeated exposure - Category 2 (liver, kidney, testis) |
| Toxicity Data | LC50 (rat) > 1,070 mg/m3/4hr |
| 水環境危害等級（WGK） | 3 |
| TSCA 収載状態 | TSCA listed |
| RTECS 番号 | UR5886250 |
| 輸送番号（UN） | 2811 |
| 毒性 | rat,LC50,inhalation,> 1070mg/m3/4H (1070mg/m3),BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)BEHAVIORAL: ATAXIA,National Technical Information Service. Vol. OTS0543107, |
| 税関コード | 29339900 |
| 危険文句（R） | 36/37/38-25-20 |
| 化審法 | (5)-3834 |
| 危険表示 | Xi,T |
| hazard_note | Irritant |
| 安全措置（S） | 26-37/39-45-22-36/39-36 |
| 危険等級 | 6.1Acute Tox. 4 Oral |
| 包装等級 | III |
| 貯蔵分類 | 11 - Combustible Solids |
用途
用途
有機合成原料。
用途
医薬中間体、防腐?防カビ剤、漁網用防汚剤
使用
3,6-Dichloropyridazine is used as an intermediate in synthetic chemistry, especially in active pharmaceutical ingredients. It is used in the preparation of alfa-(halohetaroyl)-2-azahetarylacetonitriles.