Fullerene Extract, C60 (contains ca. 20% C70)

Catalog Number

ACM99685968-12

CAS

99685-96-8

IUPAC Name

(C60-Ih)[5,6]fullerene

Synonyms

Buckminsterfullerene C60 (pure)
C60 (pure)
Carbon C60 (pure)

Molecular Weight

720.66

Molecular Formula

C60

Product Information

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

InChIKey

XMWRBQBLMFGWIX-UHFFFAOYSA-N

Melting Point

297 °C

Purity

>99.5%(HPLC)

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

Appearance

Black powder to crystal

storage

Store under inert gas

Complexity

2030

Condition To Avoid

Light Sensitive,Air Sensitive

Hazard Statements

H332 : Harmful if inhaled.H315 : Causes skin irritation.H318 : Causes serious eye damage.H373 : May cause damage to organs through prolonged or repeated exposure.H341 : Suspected of causing genetic defects.H335 : May cause respiratory irritation.H336 : May cause drowsiness or dizziness.H410 : Very toxic to aquatic life with long lasting effects.

Heavy Atom Count

MDL Number

MFCD00151408

Precautionary Statements

P501 : Dispose of contents/ container to an approved waste disposal plant.P273 : Avoid release to the environment.P260 : Do not breathe dust/ fume/ gas/ mist/ vapors/ spray.P202 : Do not handle until all safety precautions have been read and understood.P201 : Obtain special instructions before use.P271 : Use only outdoors or in a well-ventilated area.P264 : Wash skin thoroughly after handling.P280 : Wear protective gloves/ protective clothing/ eye protection/ face protection.P391 : Collect spillage.P308 + P313 : IF exposed or concerned: Get medical advice/ attention.P302 + P352 : IF ON SKIN: Wash with plenty of soap and water.P332 + P313 : If skin irritation occurs: Get medical advice/ attention.P362 : Take off contaminated clothing and wash before reuse.P304 + P340 + P312 : IF INHALED: Remove person to fresh air and keep comfortable for breathing. Call a POISON CENTER/doctor if you feel unwell.P305 + P351 + P338 + P310 : IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing. Immediately call a POISON CENTER/doctor.P403 + P233 : Store in a well-ventilated place. Keep container tightly closed.P405 : Store locked up.

Reaxys Registry Number

5901022

Rotatable Bond Count

Signal Word

Danger

Monoisotopic Mass

720g/mol

Exact Mass

720g/mol