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5-氯甲基呋喃-2-甲醛
5-(氯甲基)糠醛 · 5-氯甲基呋喃-2-甲醛 · 5-氯甲基呋喃-2-甲醛(CMF) · 2-Furancarboxaldehyde, 5-(chloromethyl)- · 5-(CHLOROMETHYL)FURFURAL · 5-(ChloroMethyl)-2-furfural · 2-ForMyl-5-chloroMethylfuran · 5-(ChloroMethyl)furfuraldehyde
标识与物理属性
| CAS No. | 1623-88-7 |
|---|---|
| 分子式 | C6H5ClO2 |
| 平均分子量 | 144.55 g/mol |
| 单同位素质量 | 143.99780708 g/mol |
| SMILES | O=Cc1ccc(CCl)o1 |
| InChIKey | KAZRCBVXUOCTIO-UHFFFAOYSA-N |
| PubChem CID | 74191 |
| EC No. | 216-608-6 |
| DTXSID | DTXSID70167351 |
| 中文名 | 5-氯甲基呋喃-2-甲醛 |
化学与物理性质
| XLogP | 0.7 |
|---|---|
| 极性表面积 | 30.2 |
| 氢键供体 | 0 |
| 氢键受体 | 2 |
| 可旋转键 | 2 |
| 重原子 | 9 |
| 形式电荷 | 0 |
| 复杂度 | 105 |
| 熔点 | 37 °C |
| 沸点 | 137-138 °C(Press: 5 Torr) |
| 密度 | 1.295±0.06 g/cm3(Predicted) |
| 储存条件 | Inert atmosphere,Store in freezer, under -20°C |
| 溶解性 | Chloroform (Slightly), Ethyl Acetate (Slightly) |
| 形态 | Dark Brown to Black Oil to Semi-Solid |
| 稳定性 | Moisture Sensitive |
| InChI | InChI=1S/C6H5ClO2/c7-3-5-1-2-6(4-8)9-5/h1-2,4H,3H2 |
| InChIKey | KAZRCBVXUOCTIO-UHFFFAOYSA-N |
| SMILES | O1C(CCl)=CC=C1C=O |
| EPA化学物质信息 | 2-Furancarboxyaldehyde, 5-(chloromethyl)- (1623-88-7) |
安全与法规
| GHS 分类 | DangerH227 (75%): Combustible liquid [Warning Flammable liquids]P203, P210, P260, P264, P264+P265, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P318, P321, P330, P363, P370+P378, P403, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 4 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Flam. Liq. 4 (75%) |
| 海关编码 | 2932190090 |