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Fullerene C70

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Name

Fullerene C70

EINECS N/A
CAS No. 115383-22-7 Density 3.51 g/cm3
PSA 0.00000 LogP 20.68500
Solubility soluble in benzene Melting Point >280 °C (lit.)
Formula C70 Boiling Point 500-600℃ subl.
Molecular Weight 840.77 Flash Point N/A
Transport Information UN 1325 Appearance black fine crystalline powder
Safety 26-36 Risk Codes 36/37
Molecular Structure Molecular Structure of 115383-22-7 (Fullerene C70) Hazard Symbols IrritantXi
Synonyms

Buckminsterfullerene C70;C70 Fullerite;C70-Fullerene;Carbon (C70);Carboncluster (C70);Footballene C70;Fullerene (C70);FullereneC70;Fullerene-C70;[70]Fullerene;

Article Data 96

Fullerene C70 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

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