Decahydronaphthalene-d₁₈ - ≥99 atom% D,≥98%, mixture of Cis–trans isomers , CAS No.28788-42-3

CAS: 28788-42-3 Cat. No.: D118378 Molecular Weight: 156.36 EC Number: 679-196-0

GRADE & PURITY ≥99 atom% D,≥98%, mixture of Cis–trans isomers

Synonyms

Decalin-d18 | Decahydronaphthalene-d18, 98 atom % D | cis-Decahydronaphthalene-d18 | d18-cis-decahydronaphthalene | J-017260 | 1,1,2,2,3,3,4,4,4a,5,5,6,6,7,7,8,8,8a-octadecadeuterionaphthalene | Decahydronaphthalene-d18 | AKOS015903083 | D98696 | Decahydr

Storage

Protected from light,Room temperature

Shipped In

Normal

Specifications

Synonyms

Decalin-d18 | Decahydronaphthalene-d18, 98 atom % D | cis-Decahydronaphthalene-d18 | d18-cis-decahydronaphthalene | J-017260 | 1, 1, 2, 2, 3, 3, 4, 4, 4a, 5, 5, 6, 6, 7, 7, 8, 8, 8a-octadecadeuterionaphthalene | Decahydronaphthalene-d18 | AKOS015903083 | D98696 | Decahydr

Specifications & Purity

≥99 atom% D, ≥98%, mixture of Cis–trans isomers

Storage

Protected from light, Room temperature

Shipped In

Normal

Purity

≥99 atom% D, ≥98%

Names and Identifiers

• Canonical Smiles: C1CCC2CCCCC2C1
• IUPAC Name: 1,1,2,2,3,3,4,4,4a,5,5,6,6,7,7,8,8,8a-octadecadeuterionaphthalene
• InChIKey: NNBZCPXTIHJBJL-XRRAJICISA-N
• INCHI: 1S/C10H18/c1-2-6-10-8-4-3-7-9(10)5-1/h9-10H,1-8H2/i1D2,2D2,3D2,4D2,5D2,6D2,7D2,8D2,9D,10D
• Isomeric SMILES: [2H]C1(C(C(C2(C(C(C(C(C2(C1([2H])[2H])[2H])([2H])[2H])([2H])[2H])([2H])[2H])([2H])[2H])[2H])([2H])[2H])([2H])[2H])[2H]
• WGK Germany: 3
• UN Number: 1147
• Molecular Weight: 156.36
• Reaxy-Rn: 878165
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=878165&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Hydrocarbons
    • Class Polycyclic hydrocarbons

• Kingdom: Organic compounds
• Superclass: Hydrocarbons
• Class: Polycyclic hydrocarbons
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Polycyclic hydrocarbons
• Alternative Parents: Saturated hydrocarbons
• Molecular Framework: Aliphatic homopolycyclic compounds
• Substituents: Polycyclic hydrocarbon - Saturated hydrocarbon - Aliphatic homopolycyclic compound
• Description: This compound belongs to the class of organic compounds known as polycyclic hydrocarbons. These are polycyclic organic compounds made up only of carbon and hydrogen atoms.
• 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
• Refractive Index: 1.475
• Flash Point(°F): 57°C
• Flash Point(°C): 57°C
• Boil Point(°C): 193°C
• Molecular Weight: 156.360 g/mol
• XLogP3: 4.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 156.254 Da
• Monoisotopic Mass: 156.254 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 80.600
• Isotope Atom Count: 18
• 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