2-アミノ-3,5-ジブロモピラジン
2-アミノ-3,5-ジブロモピラジン · 3,5-ジブロモピラジン-2-アミン · 3,5-DIBROMOPYRAZIN-2-AMINE · Amino-3,5-dibromopyrazine · 2-AMINO-3,5-DIBROMOPYRAZIN · 3,5-DIBROMOPYRAZIN-2-YLAMINE · 2-Amino-3,5-dibromop · 3,5-dibromo-2-aminop
識別子と物理属性
| CAS No. | 24241-18-7 |
|---|---|
| 分子式 | C4H3Br2N3 |
| 平均分子量 | 252.89 g/mol |
| 単同位体質量 | 250.8693713 g/mol |
| SMILES | Nc1ncc(Br)nc1Br |
| InChIKey | DTLBKXRFWUERQN-UHFFFAOYSA-N |
| PubChem CID | 620004 |
| EC No. | 628-514-6 |
| DTXSID | DTXSID50347316 |
| 現地名 | 2-アミノ-3,5-ジブロモピラジン |
化学・物理的性質
| XLogP | 1.5 |
|---|---|
| 極性表面積 | 51.8 |
| 水素結合供与体数 | 1 |
| 水素結合受容体数 | 3 |
| 回転可能結合数 | 0 |
| 重原子数 | 9 |
| 形式電荷 | 0 |
| 複雑度 | 99.8 |
| 融点 | 114-117 °C (lit.) |
| 沸点 | 294.6±35.0 °C(Predicted) |
| 密度 | 2.287±0.06 g/cm3(Predicted) |
| 貯蔵条件 | Keep in dark place,Inert atmosphere,2-8°C |
| 溶解度 | soluble in Methanol |
| pKa（酸解離定数） | 0.81±0.10(Predicted) |
| 外観・状態 | 粉 |
| 色 | 黄色から茶色 |
| InChI | InChI=1S/C4H3Br2N3/c5-2-1-8-4(7)3(6)9-2/h1H,(H2,7,8) |
| InChIKey | DTLBKXRFWUERQN-UHFFFAOYSA-N |
| SMILES | C1(N)=NC=C(Br)N=C1Br |
| CAS データベース | 24241-18-7(CAS DataBase Reference) |
化学的特性
white to light yellow crystal powde
安全性と法規制
| GHS 分類 | DangerH301 (80.4%): Toxic if swallowed [Danger Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, 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 51 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| 規制情報 | Status: Active Update: 15-06-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/33599 |
| Hazard Classes and Categories | Acute Tox. 3 (80.4%) |
| 水環境危害等級（WGK） | 3 |
| 輸送番号（UN） | UN 2811 6.1/PG 3 |
| 税関コード | 29339900 |
| 危険文句（R） | 22-37/38-41 |
| 危険表示 | Xn,Xi |
| 安全措置（S） | 26-36/39 |
| 危険等級 | 6.1Acute Tox. 3 OralEye Dam. 1Skin Irrit. 2STOT SE 3 |
| 包装等級 | III |
| 貯蔵分類 | 6.1D - Non-combustible acute toxic Cat.3toxic hazardous materials or hazardous materials causing chronic effects |
用途
用途
有機合成原料。
使用
2-Amino-3,5-dibromopyrazine is used in the preparation of conjugated polymers for neurotoxin detection. 2-Amino-3,5-dibromopyrazine is an intermediate in the preparation of rho kinase (ROCK) inhibitor s.
一般的な説明
2-Amino-3,5-dibromopyrazine can be synthesized from 2-aminopyrazine via bromination using N-bromosuccinimide (NBS). It reacts with sodium dicyanocuprate to form a mixture of mono and dicyanation products. The formation of 2-aminothiazolopyrazines by reacting 2-amino-3,5-dibromopyrazine with isothiocyanates has been reported.