Fullerite - C60/C70 mixture，C60~78%；C70~17%， High carbon fullerene~5% , CAS No.131159-39-2

CAS: 131159-39-2 Cat. No.: F166920 Número EC: 682-073-4

GRADE & PURITY C60/C70 mixture，C60~78%；C70~17%， High carbon fullerene~5%

Synonyms

Fullerene C60(Purity: 99.9wt%) | XMWRBQBLMFGWIX-UHFFFAOYSA-N | buckminsterfulereno | Fullerene Nanotubes, Single-Walled | fullerenes C84 | Q1075376 | D81921 | Fullerene C70(Purity: 99.5wt%) | Fullerene powder, mixed refined, typically 77% C{60}, 22% C{70}

Storage

Room temperature

Shipped In

Normal

Descripción general

Fullerite is a mixture of C60 and C70 fullerenes. It is a crystalline material with high light absorption and an energy band gap of 1.6 eV. It can be used as an acceptor molecule for the fabrication of bulk heterojunction polymeric solar cells.

Specifications

Sinónimos

Fullerene C60(Purity: 99.9wt%) | XMWRBQBLMFGWIX-UHFFFAOYSA-N | buckminsterfulereno | Fullerene Nanotubes, Single-Walled | fullerenes C84 | Q1075376 | D81921 | Fullerene C70(Purity: 99.5wt%) | Fullerene powder, mixed refined, typically 77% C{60}, 22% C{70}

Especificaciones y pureza

C60/C70 mixture，C60~78%；C70~17%， High carbon fullerene~5%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Nombres e identificadores

• Pubchem Sid: 528771393
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/528771393
• Sonrisas canónicas: 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
• IUPAC Name: (C60-Ih)[5,6]fullerene
• InChIKey: XMWRBQBLMFGWIX-UHFFFAOYSA-N
• 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
• Isómeros 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
• Reaxy-Rn: 5901022
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=5901022&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Phenanthrenes and derivatives
      • Subclass Triphenylenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Phenanthrenes and derivatives
• Subclass: Triphenylenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Triphenylenes
• Alternative Parents: Chrysenes Naphthalenes
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Triphenylene - Chrysene - Naphthalene - Aromatic homopolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as triphenylenes. These are compounds containing a triphenylene moiety, which consists of four fused benzene rings forming a 9,10-benzo[l]phenanthrene.
• External Descriptors: fullerene

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Propiedades químicas y físicas

• Peso molecular: 720.600 g/mol
• XLogP3: 18.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 720 Da
• Monoisotopic Mass: 720 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 60
• Formal Charge: 0
• Complexity: 2030.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1