Dodecane-d₂₆ - ≥98 atom% D,≥98% , CAS No.16416-30-1

CAS: 16416-30-1 Cat. No.: D471947 Fórmula: C₁₂D₂₆ Peso molecular: 196.5

GRADE & PURITY ≥98 atom% D,≥98%

Synonyms

1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-hexacosadeuteriododecane | D98477 | J-010117 | N-DODECANE-D26 | MS-23063 | Dodecane-d26 | MFCD00144868 | (?H??)dodecane | Dodecane-d26, 98 atom % D | HY-W099602S | DTXSID80583947 | (~2~H_26_)Dodec

Storage

Protected from light,Room temperature,Argon charged,Desiccated

Shipped In

Normal

Descripción general

Dodecane-d₂₆ is the deuterium labeled Dodecane.

1. This compound can be used as a tracer.

2. This compound can serve as an internal standard in NMR, GC-MS or LC-MS analysis for quantitative determination.

Specifications

Sinónimos

1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-hexacosadeuteriododecane | D98477 | J-010117 | N-DODECANE-D26 | MS-23063 | Dodecane-d26 | MFCD00144868 | (?H??)dodecane | Dodecane-d26, 98 atom % D | HY-W099602S | DTXSID80583947 | (~2~H_26_)Dodec

Especificaciones y pureza

≥98 atom% D,≥98%

Condiciones de almacenamiento de almacenamiento

Protected from light,Room temperature,Argon charged,Desiccated

Enviado en

Normal

Pureza

≥98 atom% D,≥98%

Nombres e identificadores

• Pubchem Sid: 488199193
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488199193
• Sonrisas canónicas: CCCCCCCCCCCC
• IUPAC Name: 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-hexacosadeuteriododecane
• InChIKey: SNRUBQQJIBEYMU-DWXHPOBZSA-N
• INCHI: 1S/C12H26/c1-3-5-7-9-11-12-10-8-6-4-2/h3-12H2,1-2H3/i1D3,2D3,3D2,4D2,5D2,6D2,7D2,8D2,9D2,10D2,11D2,12D2
• Isómeros SMILES: [2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])[2H]
• CAS alternativo: 112-40-3（unlabeled）
• Peso molecular: 196.5
• Reaxy-Rn: 1697175
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1697175&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Hydrocarbons
    • Clase Saturated hydrocarbons
      • Subclass Alkanes

• Kingdom: Organic compounds
• Superclass: Hydrocarbons
• Clase: Saturated hydrocarbons
• Subclass: Alkanes
• Intermediate Tree Nodes: Not available
• Direct Parent: Alkanes
• Alternative Parents: Not available
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Acyclic alkane - Alkane - Aliphatic acyclic compound
• Descripción: This compound belongs to the class of organic compounds known as alkanes. These are acyclic branched or unbranched hydrocarbons having the general formula CnH2n+2 , and therefore consisting entirely of hydrogen atoms and saturated carbon 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: Hygroscopic；Light sensitive
• Índice de refracción: 1.422 (lit.)
• Punto de ebullición (°C): 215-217 °C (lit.)
• Punto de fusión (°C): −9.6 °C (lit.)
• Peso molecular: 196.490 g/mol
• XLogP3: 6.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 9
• Exact Mass: 196.367 Da
• Monoisotopic Mass: 196.367 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 56.400
• Isotope Atom Count: 26
• 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