Octane-d₁₈ - ≥99 atom% D , CAS No.17252-77-6

CAS: 17252-77-6 Cat. No.: O118387 Summenformel: CD₃(CD₂)₆CD₃ Molekulargewicht: 132.34 EG-Nummer: 241-285-3

GRADE & PURITY ≥99 atom% D

Synonyms

TVMXDCGIABBOFY-VAZJTQEUSA-N | Octane-d18, 98 atom % D | EINECS 241-285-3 | MFCD00037626 | N-OCTANE-D18 | Octane-d18 | Octane-d18- | AKOS015903876 | 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-octadecadeuteriooctane | D98929 | DTXSID40169342 | J-010830 | (2H18)Oct

Storage

Protected from light,Room temperature,Argon charged

Shipped In

Normal

Übersicht

Product Application:

Octane-d18 has been used to evaluate the separation factors of the deuterated octane isomers by gas chromatography (GC).

Product Describtion:
Octane-d18 is a deuterated NMR solvent. It is useful in NMR-based research and analyses. It can be prepared starting from n-octane. It undergoes H/D (Hydrogen/Deuterium) exchange reaction with mono pinacolboryl complex at 110°C

Specifications

Synonyme

TVMXDCGIABBOFY-VAZJTQEUSA-N | Octane-d18, 98 atom % D | EINECS 241-285-3 | MFCD00037626 | N-OCTANE-D18 | Octane-d18 | Octane-d18- | AKOS015903876 | 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-octadecadeuteriooctane | D98929 | DTXSID40169342 | J-010830 | (2H18)Oct

Spezifikationen & Reinheit

≥99 atom% D

Storage

Protected from light,Room temperature,Argon charged

Verschickt in

Normal

Reinheit

≥99 atom% D

Namen und Kennungen

Pubchem Sid

528772369

Kanonisches Lächeln

[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]

IUPAC Name

1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-octadecadeuteriooctane

InChIKey

TVMXDCGIABBOFY-VAZJTQEUSA-N

INCHI

1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3/i1D3,2D3,3D2,4D2,5D2,6D2,7D2,8D2

Isomere 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])[2H]

WGK Deutschland

3

Alternative CAS-Nummer

111-65-9（Unlabeled）

UN-Nummer

1262

Molekulargewicht

132.34

Reaxy-Rn

1842132

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1842132&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Hydrocarbons
• Klasse: 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
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• Empfindlichkeit: Moisture Sensitive；Light sensitive
• Brechungsindex: 1.394
• Flammpunkt (°F): 55.4 °F
• Flammpunkt (°C): 15.6°C
• Siedepunkt (°C): 125-127°C
• Schmelzpunkt (°C): -57°C
• Molekulargewicht: 132.340 g/mol
• XLogP3: 3.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 5
• Exact Mass: 132.254 Da
• Monoisotopic Mass: 132.254 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 25.000
• 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