Acenaphthylene-d₈ - ≥98 atom% D,≥98% , CAS No.93951-97-4

CAS: 93951-97-4 Cat. No.: A464708 Molecular Weight: 160.24 EC Number: 687-178-9

GRADE & PURITY ≥98 atom% D,≥98%

Synonyms

(?H?)acenaphthylene | DTXSID00109466 | 1,2,3,4,5,6,7,8-octadeuterioacenaphthylene | Acenaphthylene-d8 | A935718 | AKOS015902802 | HY-W013570S | D98919 | Acenaphthylene-1,2,3,4,5,6,7,8-d8; Acenaphthylene-d8 (9CI); Acenaphthylene D8 | Acenaphthylene D8 | Ac

Storage

Protected from light,Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Overview

Acenaphthylene-d8 is the deuterium labeled Acenaphthylene. Acenaphthylene is a polycyclic aromatic hydrocarbon (PAH). PAHs are derived naturally from coal and tar deposits, and produced by incomplete combustion of organic matter.

Specifications

Synonyms

(?H?)acenaphthylene | DTXSID00109466 | 1, 2, 3, 4, 5, 6, 7, 8-octadeuterioacenaphthylene | Acenaphthylene-d8 | A935718 | AKOS015902802 | HY-W013570S | D98919 | Acenaphthylene-1, 2, 3, 4, 5, 6, 7, 8-d8; Acenaphthylene-d8 (9CI); Acenaphthylene D8 | Acenaphthylene D8 | Ac

Specifications & Purity

≥98 atom% D, ≥98%

Storage

Protected from light, Store at -20°C, Argon charged

Shipped In

Ice chest + Ice pads

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

Purity

≥98 atom% D, ≥98%

Names and Identifiers

• Canonical Smiles: C1=CC2=C3C(=C1)C=CC3=CC=C2
• IUPAC Name: 1,2,3,4,5,6,7,8-octadeuterioacenaphthylene
• InChIKey: HXGDTGSAIMULJN-PGRXLJNUSA-N
• INCHI: 1S/C12H8/c1-3-9-4-2-6-11-8-7-10(5-1)12(9)11/h1-8H/i1D,2D,3D,4D,5D,6D,7D,8D
• Isomeric SMILES: [2H]C1=C(C2=C3C(=C1[2H])C(=C(C3=C(C(=C2[2H])[2H])[2H])[2H])[2H])[2H]
• WGK Germany: 3
• Alternate CAS: 208-96-8（Unlabeled）
• Molecular Weight: 160.24
• Reaxy-Rn: 774092
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=774092&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Acenaphthylenes

• 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: 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; Moisture sensitive
• Flash Point(°F): 252.0 °F
• Flash Point(°C): 122°C
• Boil Point(°C): 280°C
• Melt Point(°C): 78-82°C
• Molecular Weight: 160.240 g/mol
• XLogP3: 3.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 160.113 Da
• Monoisotopic Mass: 160.113 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 184.000
• Isotope Atom Count: 8
• 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