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

CAS: 16416-30-1 Cat. No.: D471947 Formule: C₁₂D₂₆ Poids moléculaire: 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

Vue d’ensemble

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

Synonymes

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

Spécifications et pureté

≥98 atom% D,≥98%

Conditions de stockage de stockage

Protected from light,Room temperature,Argon charged,Desiccated

Expédié en

Normal

Pureté

≥98 atom% D,≥98%

Noms et identifiants

• Pubchem Sid: 488199193
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488199193
• Sourires canoniques: 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
• Isomères 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 alternatif: 112-40-3（unlabeled）
• Poids moléculaire: 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
    • Classe Saturated hydrocarbons
      • Subclass Alkanes

• Kingdom: Organic compounds
• Superclass: Hydrocarbons
• Classe: 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
• Description: 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

Propriétés chimiques et physiques

• Sensibilité: Hygroscopic；Light sensitive
• Indice de réfraction: 1.422 (lit.)
• Point d'ébullition (°C): 215-217 °C (lit.)
• Point de fusion (°C): −9.6 °C (lit.)
• Poids moléculaire: 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