Coronene - ≥95% , CAS No.191-07-1

CAS: 191-07-1 Cat. No.: C301718 分子式: C₂₄H₁₂ 分子量: 300.35 Beilstein Registry Number: 658468 EC番号: 205-881-7

グレード＆純度 ≥95%

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

仕様

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

≥95%

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

≥95%

名前と識別子

パブケム・シド

488180934

パブケム・シド・ウル

https://pubchem.ncbi.nlm.nih.gov/substance/488180934

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.
• 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