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

CAS: 28788-42-3 Cat. No.: D118378 Peso molecular: 156.36 Número EC: 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

Sinónimos

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

Especificaciones y pureza

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

Condiciones de almacenamiento de almacenamiento

Protected from light, Room temperature

Enviado en

Normal

Pureza

≥99 atom% D, ≥98%

Nombres e identificadores

• Sonrisas canónicas: 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
• Isómeros 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 Alemania: 3
• Número ONU: 1147
• Peso molecular: 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
    • Clase Polycyclic hydrocarbons

• Kingdom: Organic compounds
• Superclass: Hydrocarbons
• Clase: 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
• Descripción: 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

Propiedades químicas y físicas

• Sensibilidad: Light sensitive；Moisture sensitive
• Índice de refracción: 1.475
• Punto de inflamación (°F): 57°C
• Punto de inflamación (°C): 57°C
• Punto de ebullición (°C): 193°C
• Peso molecular: 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