Catalog Number
ACM99685968-9
Product Name
Fullerene - C60, 99.9+% (Buckminsterfullerene)
Category
Carbon Nanomaterials
IUPAC Name
(C60-Ih)[5,6]fullerene
Molecular Weight
720.6g/mol
Canonical 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
InChI
InChI=1S/C60/c1-2-5-6-3(1)8-12-10-4(1)9-11-7(2)17-21-13(5)23-24-14(6)22-18(8)28-20(12)30-26-16(10)15(9)25-29-19(11)27(17)37-41-31(21)33(23)43-44-34(24)32(22)42-38(28)48-40(30)46-36(26)35(25)45-39(29)47(37)55-49(41)51(43)57-52(44)50(42)56(48)59-54(46)53(45)58(55)60(57)59
InChI Key
XMWRBQBLMFGWIX-UHFFFAOYSA-N
Melting Point
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.
Density
1.72 g/cu cm /Solid state/
Solubility
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;Solubilities in various solvents at 25 °C: ethanol (1.4 mg/L), octanol (42.9 mg/L), distilled octanol (38.9 mg/L), water-saturated octanol (34.7 mg/L), tetrahydrofuran (11 mg/L), toluene (3000 mg/L), water-saturated toluene (2430 mg/L);Calculated solubility in water at 25 °C = 7.42 ng/L (water-phase of water-octanol), based on measured values in octanol (of octanol-water phase) and octanol-water partition coefficient
Application
Fullerene - C60, 99.9+% (Buckminsterfullerene), presented as a black to brown crystalline powder, serves a vital role in advanced biomedical applications and beyond. This unique carbon compound, resembling a geodesic dome, consists of 60 carbon atoms arranged in pentagon and hexagon configurations and is known for its remarkable physicochemical properties. In medicine, it is instrumental in the development of high-performance MRI and x-ray imaging contrast agents, and it holds promise in photodynamic therapy as a light-activated antimicrobial agent. Beyond healthcare, Fullerene C60 contributes to nanotechnology advancements, particularly in creating single-walled carbon nanotubes with narrow diameter distributions. It is also valuable in enhancing heat resistance and exploring superconductivity. Notably, its bioactivity extends to inducing autophagy and activating calcium/calmodulin-dependent protein kinase IIα (CaMKIIα), highlighting its multifaceted potential in geroprotection and other scientific fields.
Color/Form
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
Covalently-Bonded Unit Count
1
Log P
log Kow = 6.67 /Fullerene C60/
MeSH Entry Terms
Buckminsterfullerene;Buckminsterfullerenes;Buckyball;Buckyballs;Fullerene;Fullerenes
Monoisotopic Mass
720g/mol
Other Experimental
Heat of formation: 42.54 kJ/mol per C atom (C60); 40.40 kJ/mol per C atom (C7) ... upon increasing the size of the fullerenes their energy content will asymptotically reach that of graphite;Fullerenes form solvates with many organic solvents.;In solid state, C60 molecules crystallize in a face-centered cubic crystal structure with a lattice constant of 1.417 nm;Seem capable of withstanding great pressure and trapping of foreign atoms inside their network of carbon ... /may be/ capable of magnetism and superconductivity and have potential as a nonlinear optical material. ... reported to remain superconductive at temperatures as high as 45 K.;Capable of enclosing ions or atoms in a host-guest relationship
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