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

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

GRADE & PURITY ≥95%

Synonyms

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

Storage

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

Shipped In

Wet ice

Specifications

Sinónimos

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

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

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

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥95%

Nombres e identificadores

• Pubchem Sid: 504763795
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504763795
• Sonrisas canónicas: 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?
• Isómeros SMILES: 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
• Clase: 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
• Descripción: 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

Propiedades químicas y físicas

• Sensibilidad: Light Sensitive,Air Sensitive,Heat Sensitive
• Punto de ebullición (°C): 130°C/0.2mmHg(lit.)
• Punto de fusión (°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