化工社化工社 化学情報印刷レポート · 研究参考用
1-クロロ-2,5-ジメトキシベンゼン
1-クロロ-2,5-ジメトキシベンゼン · 2-クロロ-1,4-ジメトキシベンゼン · 1,4-ジメトキシ-2-クロロベンゼン · 2，5ジメトキシクロロベンゼン · ２クロロハイドロキノンジメチルエテル · 2-クロロ-1,4-ジメトキシベンゼン, 99+% · 2,5-DIMETHOXYCHLOROBENZENE · CHLORO-2,5-DIMETHOXYBENZENE
識別子と物理属性
| CAS No. | 2100-42-7 |
|---|---|
| 分子式 | C8H9ClO2 |
| 平均分子量 | 172.61 g/mol |
| 単同位体質量 | 172.0291072 g/mol |
| SMILES | COc1ccc(OC)c(Cl)c1 |
| InChIKey | QMXZSRVFIWACJH-UHFFFAOYSA-N |
| PubChem CID | 246724 |
| ChEMBL | CHEMBL4561202 |
| ChEBI | CHEBI:194668 |
| EC No. | 218-267-9 |
| DTXSID | DTXSID3041403 |
| 現地名 | 1-クロロ-2,5-ジメトキシベンゼン |
化学・物理的性質
| XLogP | 2.7 |
|---|---|
| 極性表面積 | 18.5 |
| 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 | 2 |
| 重原子数 | 11 |
| 形式電荷 | 0 |
| 複雑度 | 119 |
| Kovats Retention Index | 1312.913651356.2 |
| 融点 | 8.1 °C |
| 沸点 | 247 °C (759.8513 mmHg) |
| 密度 | 1.21 |
| 蒸気圧 | 0.02-2.4Pa at 20-50℃ |
| 屈折率 | 1.5452-1.5472 |
| 引火点 | 117 °C |
| 貯蔵条件 | Sealed in dry,Room Temperature |
| 外観・状態 | clear liquid |
| 色 | Colorless to Almost colorless |
| 比重 | 1.23 |
| 溶解度 | 実質的に不溶 |
| LogP（分配係数） | 2.7 at 23℃ and pH6-8 |
| CAS データベース | 2100-42-7(CAS DataBase Reference) |
| NISTの化学物質情報 | Benzene, 2-chloro-1,4-dimethoxy-(2100-42-7) |
| EPAの化学物質情報 | 2-Chloro-1,4-dimethoxybenzene (2100-42-7) |
化学的特性
clear light pink to green or blue liquid
安全性と法規制
| GHS 分類 | WarningH302 (37.5%): Harmful if swallowed [Warning Acute toxicity, oral]H315 (87.5%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (62.5%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (62.5%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]H412 (12.5%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]P261, P264, P264+P265, P270, P271, P273, 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 8 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website. |
|---|---|
| 規制情報 | Status: Active Update: 21-04-2010 https://echa.europa.eu/registration-dossier/-/registered-dossier/1900 |
| Hazard Classes and Categories | Acute Tox. 4 (37.5%)Skin Irrit. 2 (87.5%)Eye Irrit. 2 (62.5%)STOT SE 3 (62.5%)Aquatic Chronic 3 (12.5%) |
| 水環境危害等級（WGK） | 3 |
| TSCA 収載状態 | TSCA listed |
| 税関コード | 2909309090 |
| 危険文句（R） | 36/37/38-22 |
| 化審法 | (3)-918 |
| 消防法 | 危-4-3-III |
| 危険表示 | Xn |
| 安全措置（S） | 37/39-26 |
用途
用途
有機合成原料。
使用
2-chloro-1,4-dimethoxy-Benzene is a useful reactant which has been used in Suzuki cross-coupling reactions of aryl chlorides with arylboronic acids.