CAS 99685-96-8 Fullerene-C60 - Materials / Alfa Chemistry

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Fullerene-C60

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Catalog Number

ACM99685968-1

CAS Number

99685-96-8

Product Name

Fullerene-C60

Structure

Category

Supercapacitors; Carbon Nanomaterials; Organic Field Effect Transistor (OFET) Materials; Organic Solar Cell (OPV) Materials; Sublimed Materials

Synonyms

Buckminsterfullerene

Description

Buckyballs are also known as C60 molecules, Fullerenes, or Buckminsterfullerene. Buckyballs are molecules made up of 60 carbon atoms arranged in a series of interlocking hexagons and pentagons, forming a structure that looks similar to a soccer ball. C60 is actually a "truncated icosahedron", consisting of 12 pentagons and 20 hexagons.

IUPAC Name

(C\{60}-I\{h})[5,6] fullerene

Molecular Weight

720.64

Molecular Formula

C60

Canonical SMILES

c12c3c4c5c1c6c7c8c2c9c%10c3c%11c%12c4c%13c%14c5c%15c6c%16c7c%17c%18c8c9c%19c%20c%10c%11c%21c%22c%12c%13c%23c%24c%14c%15c%25c%16c%26c%17c%27c%18c%19c%28c%20c%21c%29c%22c%23c%30c%24c%25c%26c%31c%27c%28c%29c%30%31

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

Boiling Point

800K - sublimes

Melting Point

>280 °C (lit.)

Flash Point

Not applicable

Purity

0.995

Density

1.72 g/cm³ (mass); 1.44 x 1021/cm³ (molecular)

Solubility

organic solvents: soluble

Appearance

crystalline powder

Application

C60 has a broad range of applications which include catalysis, optical materials, polymer modification, solar cells, fuel cells, lubricants, cosmetics, and biomedical applications.

Storage

Store under inert gas

Assay

0.999

Chemical Formula

C60

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

Crystal Phase

Hexagonal cubic

EC Number

231-153-3

Electrical Resistivity

1014 ohms m-1

Exact Mass

720

Form

sublimed,ITO/CuPc/NPD/Alq3/C60/Mg:Ag• Color: green• Max. Luminance: 17200 Cd/m2

Formal Charge

Hazard Statements

H228-H315-H319-H335

Heavy Atom Count

Log P

log Kow = 6.67 /Fullerene C60/

MDL Number

MFCD00151408

MeSH Entry Terms

Buckminsterfullerene;Buckminsterfullerenes;Buckyball;Buckyballs;Fullerene;Fullerenes

Monoisotopic Mass

720

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

Packaging

1g, 5g

Refractive Index

2.2 (600 nm)

Rotatable Bond Count

RTECS Number

LS9252500

Safety Description

26-37

Signal Word

Warning

UNII