structure of Fullerene C60 CAS 99685-96-8

Fullerene C60 CAS 99685-96-8

Identification

CAS Number

99685-96-8

Name

Fullerene C60

Synonyms

(5,6)Fullerene-C60-Ih
(C60-Ih)[5,6]Fullerene
Buckminsterfullerene
Buckminsterfullerene, C60
[5,6]fullerene-C60-Ih
[60]fullerene
[60-Ih]fullerene
buckminsterfulereno
Buckminsterfulleren
Buckminsterfullerene, C{6}{0}
Buckyball
C60 fullerene
footballene
Fullerene
fullerene 60
Fullerene C60
soccerballene
バックミンスターフラーレン

Molecular Structure

structure of Fullerene C60 CAS 99685-96-8

Structure Analysis

Fullerene C60 has a special spherical configuration, and is the best round of all the molecules.
Because of the structure, all molecules of C60 have special stability, while a single C60 molecule
is extremely hard at the molecular level, which makes C60 possibly as core material of lubricant;
C60 is so hopefully to translate into a new abrasive material with high hardness as a result of C60
molecules’special shape and strong ability to resist external pressures; C60 can be used for the
sensor to detect TNT to meet the needs of counter-terrorism; The three-dimensional highly
delocalized electron conjugated molecular structure makes C60 have excellent optical and
nonlinear optical properties.

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

StdInChI

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

StdInChIKey

XMWRBQBLMFGWIX-UHFFFAOYSA-N

Molecular Formula

C60

Molecular Weight

720.67

Beilstein Registry Number

5901022

MDL Number

MFCD00151408

Properties

Appearance

Dark brown or black crystalline powder

Appearance of Fullerene C60 CAS 99685-96-8

Appearance of Fullerene C60 CAS 99685-96-8

Melting Point

280°C min

Boiling Point

Sublimation under 800K

Flash Point

94°C min

Solubility

Sparingly soluble in 1,2,4-trichlorobenzene, carbon disulfide, toluene, benzene, chloroform, carbon tetrachloride, hexane, tetrahydrofuran, acetonitrile and other organic solvents, insoluble in water

Static Dielectric Constant

4.0-4.5

Resistively

1014 ohms·m-1

Safety Data

Symbol

exclamation-mark-jpgGHS07

Signal Word

Warning

Hazard Statements

H319-H335

Precautionary Statements

P261-P305 + P351 + P338

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Hazard Codes (Europe)

Xi

Risk Statements (Europe)

36/37

Safety Statements (Europe)

26-36

WGK Germany

3

Specifications and Other Information of Our Fullerene C60 CAS 99685-96-8

Purity

95% min, 98% min, 99% min, 99.5% min, 99.9% min(By HPLC)

Known Impurities

C60 oxides, C70 and its oxides, higher fullerenes and its oxides, solvents

Productivity

kg scale

Package

Per request

Storage

Room temperature away from light

Known Application

It is used in optical computing, optical memories,optical signal processing and controlling applications respects; In addition, C60 and its derivatives can be widely used in magnetic resonance imaging, anti-HIV drugs, anti-cancer drugs, chemotherapy drugs, cosmetic additives, research and other areas.

General View of Documents

HPLC of 99.9%min Fullerene C60 CAS 99685-96-8

HPLC of 99.9%min Fullerene C60 CAS 99685-96-8

Available Derivatives

ICBA, PCBM, fullerenol,Higher fullerenes, Water-soluble fullerene

Watson-Int Link

http://watson-int.com/Fullerene-C60_CAS_99685-96-8.html