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

CAS: 215-58-7 Cat. No.: D470623 Formule: C₂₂H₁₄ Poids moléculaire: 278.35 Beilstein Registry Number: 1912415 Numéro CE: 205-920-8

QUALITÉ & PURETÉ ≥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

Spécifications

Synonymes

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 Afficher plus

Spécifications et pureté

≥97%

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Pureté

≥97%

Noms et identifiants

Pubchem Sid

528769747

Sourires canoniques

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

Isomères SMILES

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

WGK Allemagne

3

RTECS

DM1925000

Poids moléculaire

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
    • Classe Phenanthrenes and derivatives
      • Subclass Triphenylenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: 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
• Description: 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

Mécanismes d'action

Propriétés chimiques et physiques

• Point d'ébullition (°C): 518 °C (lit.)
• Point de fusion (°C): 205-207 °C (lit.)
• Poids moléculaire: 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