Coronene - ≥97% , CAS No.191-07-1

CAS: 191-07-1 Cat. No.: C119985 分子式: C₂₄H₁₂ 分子量: 300.35 Beilstein Registry Number: 658468 EC番号: 205-881-7

GRADE & PURITY ≥97%

Synonyms

Coronene 10 microg/mL in Acetonitrile | Dibenzo[ghi,pqr]perylene | Q420614 | Coronene, BCR(R) certified Reference Material | J-012345 | SY051583 | NSC90725 | NSC-90725 | OL10162 | CCRIS 908 | EINECS 205-881-7 | ACETICACID2-ACETOXY-5-ACETYL-PHENYLESTER | 1

Storage

Store at 2-8°C

Shipped In

Wet ice

概要

Product Application:

Coronene can be used：To synthesize active materials for organic photovoltaic and optoelectronic applications.As ′nucleation seed′ to synthesize graphene by vapor deposition at low temperatures.To build novel polycyclic aromatic molecular frameworks and architectures.

Specifications

同義語

Coronene 10 microg/mL in Acetonitrile | Dibenzo[ghi,pqr]perylene | Q420614 | Coronene, BCR(R) certified Reference Material | J-012345 | SY051583 | NSC90725 | NSC-90725 | OL10162 | CCRIS 908 | EINECS 205-881-7 | ACETICACID2-ACETOXY-5-ACETYL-PHENYLESTER | 1

仕様と純度

≥97%

保管条件

Store at 2-8°C

入荷

Wet ice

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

純度

≥97%

名前と識別子

• パブケム・シド: 508813668
• カノニカル・スマイル: C1=CC2=C3C4=C1C=CC5=C4C6=C(C=C5)C=CC7=C6C3=C(C=C2)C=C7
• IUPAC Name: coronene
• InChIKey: VPUGDVKSAQVFFS-UHFFFAOYSA-N
• INCHI: 1S/C24H12/c1-2-14-5-6-16-9-11-18-12-10-17-8-7-15-4-3-13(1)19-20(14)22(16)24(18)23(17)21(15)19/h1-12H
• 異性体SMILES: C1=CC2=C3C4=C1C=CC5=C4C6=C(C=C5)C=CC7=C6C3=C(C=C2)C=C7
• WGKドイツ: 3
• RTECS: GM5400000
• 分子量: 300.35
• Beilstein: 658468
• Reaxy-Rn: 658468
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=658468&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 分類: Pyrenes
• Subclass: Benzopyrenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzopyrenes
• Alternative Parents: Triphenylenes Anthracenes Aromatic hydrocarbons Polycyclic hydrocarbons Unsaturated hydrocarbons
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Benzo-e-pyrene - Triphenylene - Phenanthrene - Anthracene - Aromatic hydrocarbon - Polycyclic hydrocarbon - Unsaturated hydrocarbon - Hydrocarbon - Aromatic homopolycyclic compound
• 説明: 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: ortho- and peri-fused polycyclic arene

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

化学的性質と物理的性質

• 溶解度: Insoluble in water
• 感度: Light sensitive
• 沸点（°C）: 525°C
• 融点（°C）: 440°C
• 分子量: 300.400 g/mol
• XLogP3: 7.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 300.094 Da
• Monoisotopic Mass: 300.094 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 24
• Formal Charge: 0
• Complexity: 376.000
• 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

参考文献

1. Yan Liu, Changmin Zhang, Kangle Ding, Zhenzhen Yu, Yi Wu.  (2022)  Thermochemical Sulfate Reduction by Pyrobitumen: Review and Experiments.  ACS Earth and Space Chemistry,      [PMID:] [10.1021/acsearthspacechem.1c00291]

2. Rui-Ling Zhang, Yang Yang, Song-Qiu Yang, Ke-Li Han.  (2017)  Unveiling excited state energy transfer and charge transfer in a host/guest coordination cage.  PHYSICAL CHEMISTRY CHEMICAL PHYSICS,  20  (4): (2205-2210).  [PMID:29264601] [10.1039/C7CP06577A]