屈 100μg/ml in acetonitrile
Chrysene
品牌：桔子
产品编号：B62699
CAS号：218-01-9
分子式：C18H12
分子量：228.29
MDL：MFCD00003698
| 产品名称 : | 屈 |
|---|---|
| 英文名称 : | Chrysene |
| 参考名称 : | 2-苯并菲 |
| 参考英文名称 : | Benzo[a]phenanthrene |
| CAS号 : | 218-01-9 |
| 分子式 : | C18H12 |
| 分子量 : | 228.29 |
| SMILES : | C12=CC=CC=C1C=CC3=C4C=CC=CC4=CC=C23 |
| MDL NO : | MFCD00003698 |
| PubChem CID : | 9171 |
| InChIKey : | WDECIBYCCFPHNR-UHFFFAOYSA-N |
| 储存条件 : | 2-8℃ |
实验性质
| 外观 / 形态 : | COLOURLESS-TO-BEIGE CRYSTALS OR POWDER.；Chrysene appears as a crystalline solid. Denser than water and insoluble in water. The primary hazard is the threat to the environment. Immediate steps should be taken to limit spread to the environment. Toxic by ingestion. Used to make other chemicals.；Crystalline solid.；Crystals derived from distillation of coal tar; [Hawley]；Other Solid |
|---|---|
| 颜色 / 形态 : | Red blue fluorescent orthorhombic plates from benzene, acetic acid；Orthorhombic bipyramidal plates from benzene；Colorless platelets with blue fluorescence |
| 熔点 : | 254 - 256 °C；255 °C；Chrysene forms crystalline complexes with picric acid (orange-red needles from benzene, melting-point 174-175 °C corrected), s-trinitrobenzene (188.5-189.5 °C corrected) and 2,4,7-trinitrofluorenone (yellow needles from alcohol, melting point 247.8-249 °C)；255.5 °C；489 °F；489 °F (NTP, 1992) |
| 沸点 : | 448 °C；448 °C @760 [mm Hg]；838 °F；838 °F at 760 mmHg (NTP, 1992) |
| 密度 : | 1.274；1.274 @ 24°C；1.274 at 68 °F (NTP, 1992) - Denser than water; will sink；1.274 g/cu cm at 20 °C；1.3 g/cm³ |
| 溶解性 : | In water, 2.0X10-3 mg/L at 25 °C；Solubility in water at 25 °C: 0.0020 + or - 0.0002 mg/L；Slightly soluble in ethanol, ethyl ether, acetone, benzene, carbon disulfide; insoluble in toluene；Slightly soluble in alcohol, ether, carbon bisulfide, and glacial acetic acid. At 25 °C, 1 g dissolves in 1300 mL absolute alcohol, 480 mL toluene; about 5% is soluble in toluene at 100 °C. Moderately soluble in boiling benzene. Insoluble in water. Only slightly soluble in cold organic solvents, but fairly soluble in these solvents when hot, including glacial acetic acid. |
| 蒸气压 : | Vapor pressure: 6.3X10-7 mm Hg；6.23X10-9 mm Hg at 25 °C |
| LogP : | log Kow = 5.73 |
| 热分解说明 : | Hazardous decomposition products formed under fire conditions - Carbon oxides.；When heated to decomposition it emits acrid smoke and fumes. |
计算性质
| LogP : | 5.7 |
|---|---|
| 极性表面积 (TPSA) : | 0 Ų |
| 氢键供体数 : | 0 |
| 氢键受体数 : | 0 |
| 可旋转键数 : | 0 |
| 精确质量 : | 228.093900383 Da |
| 重原子数 : | 18 |
| 分子复杂度 : | 264 |
资料来源：屈产品资料页；来源页标注 PubChem CID 9171，资料日期 2026-10-11。
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