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

CAS: 262-89-5 Cat. No.: D155024 Molecular Weight: 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

Synonyms

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

Specifications & Purity

≥95%

Storage

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

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥95%

Names and Identifiers

• Pubchem Sid: 504763795
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504763795
• Canonical Smiles: 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?
• Isomeric SMILES: C1=CC=C/2C(=C1)/C=C\C3=CC=CC=C3/C=C2
• Molecular Weight: 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
• Class: 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
• Description: 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

Chemical and Physical Properties

• Sensitivity: Light Sensitive,Air Sensitive,Heat Sensitive
• Boil Point(°C): 130°C/0.2mmHg(lit.)
• Melt Point(°C): 107 °C
• Molecular Weight: 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