富勒烯 C60(纯) 99%
Buckminsterfullerene C60
品牌：桔子
产品编号：S71547
CAS号：99685-96-8
分子式：C60
分子量：720.64
MDL：MFCD00151408
| 产品名称 : | 富勒烯 C60(纯) |
|---|---|
| 英文名称 : | Buckminsterfullerene C60 |
| 参考名称 : | 富勒烯C60 |
| 参考英文名称 : | C60 Fullerene |
| CAS号 : | 99685-96-8 |
| 分子式 : | C60 |
| 分子量 : | 720.64 |
| SMILES : | C12=C3C4=C5C6=C1C7=C8C9=C1C%10=C%11C(=C29)C3=C2C3=C4C4=C5C5=C9C6=C7C6=C7C8=C1C1=C8C%10=C%10C%11=C2C2=C3C3=C4C4=C5C5=C%11C%12=C(C6=C95)C7=C1C1=C%12C5=C%11C4=C3C3=C5C(=C81)C%10=C23 |
| MDL NO : | MFCD00151408 |
| PubChem CID : | 123591 |
| InChIKey : | XMWRBQBLMFGWIX-UHFFFAOYSA-N |
| 储存条件 : | RT |
实验性质
| 外观 / 形态 : | Black odorless powder; [Alfa Aesar MSDS] |
|---|---|
| 颜色 / 形态 : | Spherical aromatic molecule with a hollow truncated-icosahedron structure, similar to a soccer ball. /C60/；Polyhedral cages made up of entirely five-and six-membered rings ... fullerenes contain 2(10+N) carbon atoms ... the smallest conceivable fullerene is C20, and all fullerenes must contain an even number of carbon atoms.；Solutions of C60 fullerene in hydrocarbon solvents are magenta ... C70 fullerene are port-wine red. In some solvents C76 /and C84/ fullerene gives yellow-green solutions ... C82 fullerene has a less greenish tinge. Solutions of C78 fullerene are golden chestnut brown |
| 熔点 : | At 260 K, a first-order phase transition from face-centered cubic crystal structure to a simple cubic structure is observed, accompanied by a lattice contraction. ... At 90 K the molecules rearrange to attain the best global minimum. ... At this temperature, the rotational degrees of freedom are frozen, and the solid structure is designated as a pseudo-face-centered cubic crystal structure. C70 Fullerene is rotationally disordered at room temperature and undergoes a transition to a low-temperature phase. |
| 密度 : | 1.72 g/cu cm /Solid state/ |
| 溶解性 : | Virtually insoluble in acetone, ethers, and alcohols；/C60/ is essentially insoluble in polar solvents, sparingly soluble in alkanes. In aromatic solvents and in carbon disulfide appreciable solubilities are observed.；Solubility (in mg/mL) of (60)fullerene: n-pentane 0.005; n-hexane 0.043; cyclohexane 0.036; n-decane 0.071; decalins 4.6; dichloromethane 0.26; carbon disulfide 7.9; dichloromethane 0.26; chloroform 0.16; tetrachloromethane 0.32; tetrahydrofuran 0.0; benzene 1.7; toluene 2.8; tetralin 16; benzonitrile 0.41; anisole 5.6; 1,2-dichlorobenzene 27; 1-methylnaphthalene 33; 1-chloronaphthalene 41; acetone 0.001; methanol 0.0；The solubility of C70 decreases relative to that of C60 ... roughtly 50% of the values for C60 in toluene, chlorobenzene, 1,2-dichlorobenzene, trichloromethane and hexane. Water solubility is greatly increased by the addition of hydroxyl groups either to the cage (giving fullerenols) or having them present in addends；For more Solubility (Complete) data for FULLERENES (6 total), please visit the HSDB record page. |
| LogP : | log Kow = 6.67 /Fullerene C60/ |
| 热分解说明 : | Hazardous decomposition products formed under fire conditions. - Carbon oxides. /Fullerene-C60/ |
计算性质
| LogP : | 18.3 |
|---|---|
| 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 : | 720 Da |
| 重原子数 : | 60 |
| 分子复杂度 : | 2030 |
资料来源：富勒烯 C60(纯)产品资料页；来源页标注 PubChem CID 123591，资料日期 2026-10-11。
质检证书(COA)
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