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Acenaphthylene - analytical standard, high purity , CAS No.208-96-8
Basic Description
Synonyms
NCGC00163967-03 | NSC59821 | NSC-59821 | Tox21_201825 | AC-26296 | InChI=1/C12H8/c1-3-9-4-2-6-11-8-7-10(5-1)12(9)11/h1-8 | NCGC00163967-02 | ACENAPHTHYLENE [HSDB] | Acenaphthylene 100 microg/mL in Acetonitrile | AKOS015901063 | HY-W013570 | DS-16915 | A81
Specifications & Purity
analytical standard
Shipped In
Normal
Grade
analytical standard
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Acenaphthylenes
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Acenaphthylenes
Alternative Parents
Naphthalenes Aromatic hydrocarbons Polycyclic hydrocarbons Cyclic olefins
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
Acenaphthylene - Naphthalene - 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 acenaphthylenes. These are aromatic polycyclic compounds containing an acenaphthylene moiety. Acenaphthylene is a carbotricyclic compound, consisting of a naphthalene with positions C1 and C8 connected by an ethylene bridge.
External Descriptors
ortho- and peri-fused polycyclic arene - acenaphthylenes - ortho- and peri-fused tricyclic hydrocarbon
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.
Mechanisms of Action
Mechanism of Action
Action Type
target ID
Target Name
Target Type
Target Organism
Binding Site Name
References
Names and Identifiers
IUPAC Name
acenaphthylene
INCHI
InChI=1S/C12H8/c1-3-9-4-2-6-11-8-7-10(5-1)12(9)11/h1-8H
InChIKey
HXGDTGSAIMULJN-UHFFFAOYSA-N
Smiles
C1=CC2=C3C(=C1)C=CC3=CC=C2
Isomeric SMILES
C1=CC2=C3C(=C1)C=CC3=CC=C2
Molecular Weight
152.19
Reaxy-Rn
774092
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=774092&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Flash Point(°F)
251.6 °F
Flash Point(°C)
122.0 °C
Boil Point(°C)
280 °C
Melt Point(°C)
78-82 °C
Molecular Weight
152.190 g/mol
XLogP3
3.700
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
0
Rotatable Bond Count
0
Exact Mass
152.063 Da
Monoisotopic Mass
152.063 Da
Topological Polar Surface Area
0.000 Ų
Heavy Atom Count
12
Formal Charge
0
Complexity
184.000
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
Citations of This Product
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47 Citations
D2014107