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[60]Fullerene (99685-96-8)

Identification
Name:[60]Fullerene
Synonyms:follene-60;icosahedralC60;soccerballene;C60;carbon c60;carbon cluster c60;footballene;[5,6]fullerene-C60-Ih;Buckminsterfullerene, C60;
CAS:99685-96-8
Molecular Formula: C60
Molecular Weight: 720.64
InChI: InChI=1/C44H35NO5/c1-2-23-19-27-21-29-37-35(27)39-31(23)30-22(1)17-25-20-26-18-24-3-4-28(36-32(24)40-34(26)33(25)38(30)42(39)43(40)41(36)37)44(29)45-5-7-46-9-11-48-13-15-50-16-14-49-12-10-47-8-6-45/h1-4,17-19,21,44H,5-16,20H2
Molecular Structure: (C60) follene-60;icosahedralC60;soccerballene;C60;carbon c60;carbon cluster c60;footballene;[5,6]fullerene...
Properties
Transport:UN1325
Density:5.568
Stability:Stable. Highly flammable. Incompatible with strong oxidizing agents.
Refractive index:1.813
Water Solubility:insoluble
Solubility:organic solvents: soluble
Appearance:black to brown crystalline powder
Specification:

The [60]Fullerene with the cas number 99685-96-8, is also called buckminsterfullerene .This chemical belongs to the following product categories:(1)C60 & C70; (2)Organic Semiconducting Materials; (3)Functional Materials.The stability of this chemical are: (1)Stable; (2)Highly flammable; (3)Incompatible with strong oxidizing agents.

The properties of this chemical are: (1)ACD/LogP: 16.09; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): 16.09; (4)ACD/LogD (pH 7.4): 16.09; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 10000000; (8)ACD/KOC (pH 7.4): 10000000; (9)Molar Refractivity: 228.78 cm3; (10)Molar Volume: 209.7 cm3; (11)Polarizability: 90.69×10-24cm3; (12)Surface Tension: 573.1 dyne/cm.

The product can be supplied by the following suppliers:(1)J & K SCIENTIFIC LTD. ; (2)A Meryer Chemical Technology Shanghai Company; (3)Alfa Aesar; (4)ShangHai HanFeng Chemical Scientific Co.,Ltd.; (5)TCI (Shanghai) Development Co., Ltd.; (6)Energy Chemical ; (7)Mascot I.E. Co., Ltd.; (8)Chengdu Chemphys Chemical Industry Co., Ltd..

You can still convert the following datas into molecular structure:
(1)SMILES: C%14=%16\C7=C9/C=3c%15c2c1c%13c%18c%19c1c%20c/%30c2C=3\C%10=C%31\c%22c%11c4c8c6c5c4c%21c/%23c\%26c5c\%27c/%12c6c(c7c8c9c%10%11)\C\%17=C\%12\C=%29c(c(c%13c%14%15)C=%16/%17)c%18c%28c\%25c%19c\%24c%20\C( C(/c%21%22)=C\%23\C/%24=C/%25C/%26=C/%27/C%28=%29)=C\%30%31
(2)InChI: InChI=1/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

Packinggroup: III
Storage Temperature: Dark Room
Color: Spherical aromatic molecule with a hollow truncated-icosahedron structure, similar to a soccer ball.
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
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