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| CAS No.: | 115383-22-7 |
|---|---|
| Name: | Fullerene C70 |
| Molecular Structure: | |
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| Formula: | C70 |
| Molecular Weight: | 840.77 |
| Synonyms: | Buckminsterfullerene C70;C70 Fullerite;C70-Fullerene;Carbon (C70);Carboncluster (C70);Footballene C70;Fullerene (C70);FullereneC70;Fullerene-C70;[70]Fullerene; |
| Density: | 3.51 g/cm3 |
| Melting Point: | >280 °C (lit.) |
| Boiling Point: | 500-600℃ subl. |
| Solubility: | soluble in benzene |
| Appearance: | black fine crystalline powder |
| Hazard Symbols: |
 Xi
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| Risk Codes: | 36/37 |
| Safety: | 26-36 |
| Transport Information: | UN 1325 |
| PSA: | 0.00000 |
| LogP: | 20.68500 |
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Specification
The Fullerene C70, with the CAS registry number of 115383-22-7, is also known as Fullerene-C70. It belongs to the product categories of C60 & C70; Functional Materials. This chemical's molecular formula is C70 and molecular weight is 840.77. What's more, its IUPAC name is (C\{70}-D\{5h(6)})[5, 6]fullerene. In addition, it must be stored in dark room.
Physical properties about Fullerene C70 are: (1)ACD/LogP: 0.00; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 0; (4)ACD/LogD (pH 7.4): 0; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 23.82; (8)ACD/KOC (pH 7.4): 23.82; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: Å2; (13)Molar Refractivity: 233.57 cm3; (14)Molar Volume: 239.4 cm3; (15)Surface Tension: 411.6 dyne/cm; (16)Density: 3.51 g/cm3.
When you are using Fullerene C70, please be cautious about it as the following:
As a chemical, it is irritating to eyes and respiratory system. In addition, this chemical may cause inflammation to the skin or other mucous membranes. During using it, wear suitable protective clothing. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1) SMILES: C=1/%19C=%16C=2C=%11C=4\C\%10=C/5\C\%22=C\%23/C/6=C%24\C%26=C7\C=3\C%27=C(/C=1C=2C=3C=4/C\5=C\67)\C%20=C/%28\C=8C=%25\C\%31=C\%34/C=8/C/%21=C%18\C=%35C=%15C=%33C=%14\C\9=C/%32\C=%29/C/%36=C/9/C=%12/C( \C/%10=C\%13/C=%11/C/%17=C(\C=%14C=%12/%13)/C=%15/C(/C=%16\%17)=C%18/C\%19=C%20\%21)=C/%22/C\%36=C/%23/C\%30=C%24\C(\C=%25C%26=C%27\%28)=C(/C=%29/%30)\C/%31=C\%32\C=%33C/%34=%35
(2) InChI: InChI=1/C70/c1-2-22-5-6-24-13-14-26-11-9-23-4-3(21(1)51-52(22)54(24)55(26)53(23)51)33-31(1)61-35-7-8-27-15-16-29-19-20-30-18-17-28-12-10(25(7)56-57(27)59(29)60(30)58(28)56)37(35)63(33)65-36(4)40(9)67(44(17)42(12)65)69-46(11)47(14)70(50(20)49(18)69)68-43(13)39(6)66(45(16)48(19)68)64-34(5)32(2)62(61)38(8)41(15)64
(3) InChIKey: ATLMFJTZZPOKLC-UHFFFAOYAA