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| CAS No.: | 131159-39-2 |
|---|---|
| Name: | FULLERENE |
| Molecular Structure: | |
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|
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| Formula: | C60 |
| Molecular Weight: | 720.64 |
| Synonyms: | C60/C70Fullerite;C60/C70 fullerene;Fullerene C60/C70;Liquid fullerite;Nanom Mix; |
| Density: | 3.435 g/cm3 |
| Melting Point: | >280 °C(lit.) |
| Flash Point: | >94 °C |
| Appearance: | Black fine powder |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 36/37 |
| Safety: | 26-36-37/39-22 |
| Transport Information: | UN1325 |
| PSA: | 0.00000 |
| LogP: | 17.73000 |
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Specification
The CAS register number of Fullerite is 131159-39-2. It also can be called as Liquid fullerite and the systematic name about this chemical is [60]fullerene. The molecular formula about this chemical is C60 and the molecular weight is 720.64. It belongs to the following product categories which include C60 & C70; Functional Materials and so on.
Physical properties about Fullerite are: (1)ACD/LogP: 19.25; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): 19.251; (4)ACD/LogD (pH 7.4): 19.251; (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: 228.785 cm3; (10)Molar Volume: 209.797 cm3; (11)Polarizability: 90.697x10-24cm3; (12)Surface Tension: 573.188 dyne/cm; (13)Density: 3.435 g/cm3.
When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes and respiratory system. Crystal C60 unique spherical structure is called ba base ball or football ene and it is stable under normal temperature and pressure and soluble in organic solvents. It may cause inflammation to the skin or other mucous membranes. If you want to use this chemical, wear suitable gloves, suitable protective clothing and eye/face protection. When you are using it, do not breathe dust. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. If you want to store it, you should keep the container tightly sealed in dry, cool places. Please ensure that the workshop is well ventilated or equipped with exhaust device.
You can still convert the following datas into molecular structure:
(1)SMILES: c12c3c4c5c1c6c7c8c2c9c1c3c2c3c4c4c%10c5c5c6c6c7c7c%11c8c9c8c9c1c2c1c2c3c4c3c4c%10c5c5c6c6c7c7c%11c8c8c9c1c1c2c3c2c4c5c6c3c7c8c1c23 (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
(3)InChIKey: XMWRBQBLMFGWIX-UHFFFAOYAU
(4)Std. 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
(5)Std. InChIKey: XMWRBQBLMFGWIX-UHFFFAOYSA-N