Dibenzo[a,e]cyclooctene - ≥95% , CAS No.262-89-5

CAS: 262-89-5 Cat. No.: D155024 Fórmula: C₁₆H₁₂ Peso molecular: 204.27

GRAU & PUREZA ≥95%

Synonyms

Dibenzo[a,e][8]annulene | DBCOT

Storage

Store at 2-8°C,Protected from light,Argon charged

Shipped In

Wet ice

Especificações

Sinónimos

Dibenzo[a,e][8]annulene | DBCOT

Especificações e pureza

≥95%

Condições de armazenamento de armazenamento

Store at 2-8°C,Protected from light,Argon charged

Enviado em

Wet ice

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Pureza

≥95%

Nomes e identificadores

Pubchem Sid

504763795

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504763795

Sorrisos canónicos

C1=CC=C2C=CC3=CC=CC=C3C=CC2=C1

IUPAC Name

(2Z,10Z)-tricyclo[10.4.0.04,9]hexadeca-1(16),2,4,6,8,10,12,14-octaene

InChIKey

VGQWCQNHAMVTJY-RKUAQPHYSA-N

INCHI

1S/C16H12/c1-2-6-14-11-12-16-8-4-3-7-15(16)10-9-13(14)5-1/h1-12H/b10-9-,12-11-,13-9?,14-11?,15-10?,16-12?

SMILES isoméricas

C1=CC=C/2C(=C1)/C=C\C3=CC=CC=C3/C=C2

Peso molecular

204.27

Reaxy-Rn

20860804

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=20860804&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Not available
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzenoids
• Alternative Parents: Aromatic hydrocarbons Polycyclic hydrocarbons Cyclic olefins
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Benzenoid - Aromatic hydrocarbon - Polycyclic hydrocarbon - Cyclic olefin - Unsaturated hydrocarbon - Olefin - Hydrocarbon - Aromatic homopolycyclic compound
• Descrição: This compound belongs to the class of organic compounds known as benzenoids. These are aromatic compounds containing one or more benzene rings.
• External Descriptors: Not available

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

Propriedades químicas e físicas

• Sensibilidade: Light Sensitive,Air Sensitive,Heat Sensitive
• Ponto de ebulição (°C): 130°C/0.2mmHg(lit.)
• Ponto de fusão (°C): 107 °C
• Peso molecular: 204.270 g/mol
• XLogP3: 4.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 204.094 Da
• Monoisotopic Mass: 204.094 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 228.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 2
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 2
• Covalently-Bonded Unit Count: 1