苯并芘 1000μg/ml in methanol:methylbenzene(3:2)
3,4-Benzopyrene
品牌：桔子
产品编号：B61069
CAS号：50-32-8
分子式：C20H12
分子量：252.31
MDL：MFCD00003602
| 产品名称 : | 苯并芘 |
|---|---|
| 英文名称 : | 3,4-Benzopyrene |
| 参考名称 : | 苯并芘 |
| 参考英文名称 : | Benzo[pqr]tetraphene |
| CAS号 : | 50-32-8 |
| 分子式 : | C20H12 |
| 分子量 : | 252.31 |
| SMILES : | C1=CC=C2C3=C4C(=CC2=C1)C=CC5=C4C(=CC=C5)C=C3 |
| MDL NO : | MFCD00003602 |
| PubChem CID : | 2336 |
| InChIKey : | FMMWHPNWAFZXNH-UHFFFAOYSA-N |
| 储存条件 : | RT&&2-8℃ |
实验性质
| 外观 / 形态 : | Benzo[a]pyrene appears as a liquid. Presents a threat to the environment. Immediate steps should be taken to limits its spread to the environment. Easily penetrates the soil and contaminates groundwater or nearby waterways.；Odorless, silver-gray to black solid.；Other Solid；PALE YELLOW CRYSTALS.；Yellowish solid; Practically insoluble in water; [Merck Index] Yellow crystals; Insoluble in water; [MSDSonline] |
|---|---|
| 颜色 / 形态 : | Pale yellow monoclinic needles from benzene and methanol；Yellowish plates, needles from benzene + methanol; crystals may be monoclinic or orthorhombic；Yellowish plates (from benzene and ligroin) |
| 熔点 : | 178.1 °C；179 °C；181.1 °C；349.7 to 351.5 °F (NTP, 1992)；3497-3515 °F |
| 沸点 : | 496 °C；5612 °F；887 °F at 760 mmHg (NTP, 1992)；BP: 310-312 °C at 10 mm Hg；Boiling point: > 360 °C at 760 mm Hg |
| 密度 : | 1.351；1.351 @25 °C；>1；Density (at 20 °C): 1.4 g/cm³；greater than 1 (NTP, 1992) |
| 溶解性 : | In water, 1.62X10-3 mg/L at 25 °C；Soluble in benzene, toluene, xylene, and ether; slightly soluble in alcohol；Very soluble in chloroform；Solubility in aqueous caffeine is higher than in water; also, native DNA has a solubilizing effect |
| 蒸气压 : | 0.00000001 [mmHg]；5.49X10-9 mm Hg at 25 °C /extrapolated value/；5.49e-09 mmHg at 77 °F (NTP, 1992)；Vapor pressure at 20 °C: negligible；depends upon the specific compound |
| LogP : | log Kow = 6.13 |
| 热分解说明 : | Hazardous decomposition products formed under fire conditions - Carbon oxides.[Sigma-Aldrich; Safety Data Sheet for Benzo；When heated to decomposition it emits acrid smoke and fumes. |
| 气味 : | Faint aromatic odor |
计算性质
| LogP : | 6 |
|---|---|
| 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 : | 252.093900383 Da |
| 重原子数 : | 20 |
| 分子复杂度 : | 372 |
资料来源：苯并芘产品资料页；来源页标注 PubChem CID 2336，资料日期 2026-10-11。
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