化工社化工社 化学情報印刷レポート · 研究参考用
2-(2-Chloroethoxy)acetic acid
2-(2-chloroethoxy)acetic acid · CAS_14869-41-1 · Chloro-PEG-CH2COOH · Chloro-PEG1-CH2COOH · 2-CHLOROETHOXY ACETIC ACID · 2-(2-Chloroethoxy)aceticaci · 2-(Chloroethoxyl)acetic acid · 5-Chloro-3-oxapentanoic acid
識別子と物理属性
| CAS No. | 14869-41-1 |
|---|---|
| 分子式 | C4H7ClO3 |
| 平均分子量 | 138.55 g/mol |
| 単同位体質量 | 138.00837176 g/mol |
| SMILES | O=C(O)COCCCl |
| InChIKey | MHXJETVNZPUVEN-UHFFFAOYSA-N |
| PubChem CID | 10920584 |
| EC No. | 604-645-4 |
| DTXSID | DTXSID00448286 |
化学・物理的性質
| XLogP | 0.3 |
|---|---|
| 極性表面積 | 46.5 |
| 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 | 4 |
| 重原子数 | 8 |
| 形式電荷 | 0 |
| 複雑度 | 73.7 |
| 融点 | 32.5-33.0 °C |
| 沸点 | 130 °C(Press: 3.5 Torr) |
| 密度 | 1.3296 g/cm3 |
| 貯蔵条件 | Sealed in dry,Room Temperature |
| 溶解度 | Chloroform (Sparingly), Methanol (Slightly) |
| pKa（酸解離定数） | 3.34±0.10(Predicted) |
| 外観・状態 | liquid |
| 色 | Yellow |
| InChI | InChI=1S/C4H7ClO3/c5-1-2-8-3-4(6)7/h1-3H2,(H,6,7) |
| InChIKey | MHXJETVNZPUVEN-UHFFFAOYSA-N |
| SMILES | C(O)(=O)COCCCl |
化学的特性
Light Yellow Oil
安全性と法規制
| GHS 分類 | This chemical does not meet GHS hazard criteria for 50% (1 of 2) of reports.DangerH314 (50%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]P260, P261, P264, P271, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P363, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Skin Corr. 1B (50%) |
| 税関コード | 2918999090 |
用途
使用
A metabolite of Bis(2-chloroethyl) Ether.