CAS 131159-39-2 Fullerenes C60(Purity: 99.9 wt%)

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Fullerenes C60(Purity: 99.9 wt%)

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Catalog Number

ACM131159392-8

CAS Number

131159-39-2

Product Name

Fullerenes C60(Purity: 99.9 wt%)

Structure

Category

Carbon Nanomaterials

IUPAC Name

(C60-Ih)[5,6]fullerene

Molecular Weight

720.6g/mol

Molecular Formula

C60

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.

Purity

99.9 wt%

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

Fullerenes C60, with a high purity of 99.9 wt%, serve a crucial role in various scientific and industrial applications due to their unique molecular structure and exceptional chemical properties. These carbon-based molecules are primarily used in research and development areas, including materials science and nanotechnology, where they contribute to the advancement of innovative materials with enhanced strength and electronic properties. Additionally, Fullerenes C60 are significant in the field of pharmaceuticals and medicine, where their ability to act as radical scavengers and support drug delivery systems is particularly valuable. Their distinct characteristics make them an indispensable component in the push towards cutting-edge solutions across multiple disciplines.

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

Complexity

2030

Covalently-Bonded Unit Count

Exact Mass

720g/mol

Formal Charge

Heavy Atom Count

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

Rotatable Bond Count

UNII

NP9U26B839

XLogP3

MSDS

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COA

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Spec Sheet

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