GRADE & PURITY ≥98%

Synonyms

(C70-D5h(6))[5,6]fullerene | [70-D5h]fullerene | F1233 | Fullerene 70 | D82998 | Carbon C70 | DTXSID90151050 | Fullerene C70 | Q3885009 | Fullerene C70 (purified by sublimation) [for organic electronics] | [5,6]-Fullerene-C70 | (5,6)Fullerene-C70-D5h (6)

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

(C70-D5h(6))[5, 6]fullerene | [70-D5h]fullerene | F1233 | Fullerene 70 | D82998 | Carbon C70 | DTXSID90151050 | Fullerene C70 | Q3885009 | Fullerene C70 (purified by sublimation) [for organic electronics] | [5, 6]-Fullerene-C70 | (5, 6)Fullerene-C70-D5h (6)

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 504768056
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504768056
• Sonrisas canónicas: C12=C3C4=C5C6=C7C8=C9C%10=C%11C%12=C%13C%10=C%10C8=C5C1=C%10C1=C%13C5=C8C1=C2C1=C3C2=C3C%10=C%13C%14=C3C1=C8C1=C3C5=C%12C5=C8C%11=C%11C9=C7C7=C9C6=C4C2=C2C%10=C4C(=C29)C2=C6C(=C8C8=C9C6=C4C%13=C9C(=C%141)C3=C85)C%11=C27
• IUPAC Name: (C70-D5h(6))[5,6]fullerene
• InChIKey: ATLMFJTZZPOKLC-UHFFFAOYSA-N
• INCHI: 1S/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
• Isómeros SMILES: C12=C3C4=C5C6=C7C8=C9C%10=C%11C%12=C%13C%10=C%10C8=C5C1=C%10C1=C%13C5=C8C1=C2C1=C3C2=C3C%10=C%13C%14=C3C1=C8C1=C3C5=C%12C5=C8C%11=C%11C9=C7C7=C9C6=C4C2=C2C%10=C4C(=C29)C2=C6C(=C8C8=C9C6=C4C%13=C9C(=C%141)C3=C85)C%11=C27
• WGK Alemania: 3
• Peso molecular: 840.75
• Reaxy-Rn: 6843004
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=6843004&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Pyrenes
      • Subclass Benzopyrenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Pyrenes
• Subclass: Benzopyrenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzopyrenes
• Alternative Parents: Triphenylenes Naphthacenes Chrysenes
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Benzo-e-pyrene - Benzo-a-pyrene - Triphenylene - Tetracene - Chrysene - Phenanthrene - Aromatic homopolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as benzopyrenes. These are organic compounds containing a benzene fused to a pyrene(benzo[def]phenanthrene) ring system.
• 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

• Sensibilidad: Light Sensitive
• Peso molecular: 840.700 g/mol
• XLogP3: 10.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 840 Da
• Monoisotopic Mass: 840 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 70
• Formal Charge: 0
• Complexity: 4760.000
• 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

Referencias

1. Hou Ying, Nie Bei.  (2020)  Selective extraction of fullerene C60 by in situ interweaved AgNO3 complex encapsulated C60 molecular cages.  JOURNAL OF MATERIALS SCIENCE,  56  (1): (380-391).  [PMID:] [10.1007/s10853-020-05275-1]

2. Ying Hou, Yinxu Pan, Chunhong Dong, Bei Nie.  (2020)  Direct transformation of AgNO3 complex encapsulated Fullerene (C60) microcrystal on solid silver Nitrate Crystal without organic Ligands.  APPLIED ORGANOMETALLIC CHEMISTRY,  34  (12): (e5978).  [PMID:] [10.1002/aoc.5978]

3. Yaxiong Wei, Min Zheng, Qiaohui Zhou, Xiaoguo Zhou, Shilin Liu.  (2018)  Application of a bodipy–C70 dyad in triplet–triplet annihilation upconversion of perylene as a metal-free photosensitizer.  ORGANIC & BIOMOLECULAR CHEMISTRY,  16  (31): (5598-5608).  [PMID:30027981] [10.1039/C8OB01410H]