Dibenz[a,c]anthracene - ≥97% , CAS No.215-58-7

CAS: 215-58-7 Cat. No.: D470623 分子式: C₂₂H₁₄ 分子量: 278.35 Beilstein Registry Number: 1912415 EC番号: 205-920-8

グレード＆純度 ≥97%

Synonyms

Dibenzo[a,c]anthracene|Dibenz[a,c]anthracene|Dibenzo[a,c]anthracene-13C6|NEBIVOLOLHCL|Benzo(b)triphenylene|DIBENZ(A,C)ANTHRACENE [IARC]|2,3-Benztriphenylene|1,2,3,4-1,2,3,4-Dibenzanthracene|Benzotriphenylene|Benzo[b]triphenylene|Dibenzanthracene|Dibenz(a,c)anthracene|Dibenzo(a,c)anthracene|1,2,3,4-DIBENZANTHRACENE|benzo[f]tetraphene|1,2:3,4-Dibenzoanthracene|2,3-Benzotriphenylene

Storage

Room temperature

Shipped In

Normal

仕様

同義語

Dibenzo[a,c]anthracene | Dibenz[a,c]anthracene | Dibenzo[a,c]anthracene-13C6 | NEBIVOLOLHCL | Benzo(b)triphenylene | DIBENZ(A,C)ANTHRACENE [IARC] | 2,3-Benztriphenylene | 1,2,3,4-1,2,3,4-Dibenzanthracene | Benzotriphenylene | Benzo[b]triphenylene | Dibenzanthracene | Dibenz(a,c)anthracene | Dibenzo(a,c)anthracene | 1,2,3,4-DIBENZANTHRACEN もっと見る

仕様と純度

≥97%

保管条件

Room temperature

入荷

Normal

純度

≥97%

名前と識別子

パブケム・シド

528769747

カノニカル・スマイル

C1=CC=C2C=C3C4=CC=CC=C4C5=CC=CC=C5C3=CC2=C1

IUPAC Name

benzo[b]triphenylene

InChIKey

RAASUWZPTOJQAY-UHFFFAOYSA-N

INCHI

1S/C22H14/c1-2-8-16-14-22-20-12-6-4-10-18(20)17-9-3-5-11-19(17)21(22)13-15(16)7-1/h1-14H

異性体SMILES

C1=CC=C2C=C3C4=CC=CC=C4C5=CC=CC=C5C3=CC2=C1

WGKドイツ

3

RTECS

DM1925000

分子量

278.35

Beilstein

1912415

Reaxy-Rn

1912415

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1912415&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 分類: Phenanthrenes and derivatives
• Subclass: Triphenylenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Triphenylenes
• Alternative Parents: Anthracenes Aromatic hydrocarbons Polycyclic hydrocarbons Unsaturated hydrocarbons
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Triphenylene - Anthracene - Aromatic hydrocarbon - Polycyclic hydrocarbon - Unsaturated hydrocarbon - Hydrocarbon - Aromatic homopolycyclic compound
• 説明: 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: carbopolycyclic compound

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

作用メカニズム

化学的性質と物理的性質

• 沸点（°C）: 518 °C (lit.)
• 融点（°C）: 205-207 °C (lit.)
• 分子量: 278.300 g/mol
• XLogP3: 6.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 278.11 Da
• Monoisotopic Mass: 278.11 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 361.000
• 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