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6-メチルキノキサリン
6-メチルキノキサリン · 6-メチルキノキサリン, 96% · Quinoxaline, 6-methyl- · 6-METHYLQUINOXALINE · 6-METHYLQUINOXALINE 99% · 6-Methylquinoxaline , 97+%
識別子と物理属性
| CAS No. | 6344-72-5 |
|---|---|
| 分子式 | C9H8N2 |
| 平均分子量 | 144.17 g/mol |
| 単同位体質量 | 144.06874826 g/mol |
| SMILES | Cc1ccc2nccnc2c1 |
| InChIKey | OSRARURJYPOUOV-UHFFFAOYSA-N |
| PubChem CID | 242567 |
| ChEMBL | CHEMBL1885120 |
| ChEBI | CHEBI:194888 |
| EC No. | 670-336-6 |
| DTXSID | DTXSID00287490 |
| 現地名 | 6-メチルキノキサリン |
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 | 11 |
| 形式電荷 | 0 |
| 複雑度 | 136 |
| SpringerMaterials Properties | 15N nuclear magnetic resonance spectrum |
| 融点 | 218.5°C |
| 沸点 | 244-245°C |
| 密度 | 1.1164 |
| 屈折率 | 1.6190 |
| 引火点 | 244-245°C |
| 貯蔵条件 | Sealed in dry,Room Temperature |
| pKa（酸解離定数） | 1.40±0.30(Predicted) |
| BRN | 113371 |
| InChI | InChI=1S/C9H8N2/c1-7-2-3-8-9(6-7)11-5-4-10-8/h2-6H,1H3 |
| InChIKey | OSRARURJYPOUOV-UHFFFAOYSA-N |
| SMILES | N1C2C(=CC(C)=CC=2)N=CC=1 |
| LogP（分配係数） | 1.872 (est) |
| CAS データベース | 6344-72-5(CAS DataBase Reference) |
| NISTの化学物質情報 | Quinoxaline, 6-methyl-(6344-72-5) |
安全性と法規制
| GHS 分類 | WarningH302 (16.7%): 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 6 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| 規制情報 | Chemical: Quinoxaline, 6-methyl-Quinoxaline, 6-methyl-: Does not have an individual approval but may be used under an appropriate group standard |
| Hazard Classes and Categories | Acute Tox. 4 (16.7%) |
| 税関コード | 2933998090 |
| 危険文句（R） | 22-36/37/38-34-11 |
| 危険表示 | Xn,Xi,C,F |
| 安全措置（S） | 23-26-36/37/39-45-16 |
| 危険等級 | IRRITANT |
用途
使用
6-Methylquinoxaline (CAS# 6344-72-5) can be used as a conductive roller for electrophotographic apparatus. It has also be known for its sequential synthesis, olfactory properties, and biological activity.