Hexane-d₁₄ - ≥99 atom% D , CAS No.21666-38-6

CAS: 21666-38-6 Cat. No.: H121283 Summenformel: CD₃(CD₂)₄CD₃ Molekulargewicht: 100.26 Beilstein Registry Number: 100.26 EG-Nummer: 680-747-2

GRADE & PURITY ≥99 atom% D

Synonyms

VLKZOEOYAKHREP-ZLKPZJALSA-N | MFCD00037562 | D99424 | Tetradecadeuterohexane | Q13640581 | J-014221 | Hexane-d14, 99 atom % D | N-HEXANE-D14 | n-Hexane-d{14} | 1,1,1,2,2,3,3,4,4,5,5,6,6,6-tetradecadeuteriohexane | Hexane-1,1,1,2,2,3,3,4,4,5,5,6,6,6-d14 |

Storage

Protected from light,Room temperature,Argon charged

Shipped In

Normal

Übersicht

Hexane-d14 is a deuterated NMR solvent that is useful in NMR-based research and analyses.

Specifications

Synonyme

VLKZOEOYAKHREP-ZLKPZJALSA-N | MFCD00037562 | D99424 | Tetradecadeuterohexane | Q13640581 | J-014221 | Hexane-d14, 99 atom % D | N-HEXANE-D14 | n-Hexane-d{14} | 1,1,1,2,2,3,3,4,4,5,5,6,6,6-tetradecadeuteriohexane | Hexane-1,1,1,2,2,3,3,4,4,5,5,6,6,6-d14 |

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

508813878

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/508813878

Kanonisches Lächeln

CCCCCC

IUPAC Name

1,1,1,2,2,3,3,4,4,5,5,6,6,6-tetradecadeuteriohexane

InChIKey

VLKZOEOYAKHREP-ZLKPZJALSA-N

INCHI

1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3/i1D3,2D3,3D2,4D2,5D2,6D2

Isomere SMILES

[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

110-54-3（ Unlabeled）

Molekulargewicht

100.26

Beilstein

100.26

Reaxy-Rn

1730733

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1730733&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

• Löslichkeit: Mixes with most organic solvents, chloroform, ether and alcohol. Insoluble in water.
• Empfindlichkeit: Hygroscopic；Light sensitive
• Brechungsindex: 1.3718
• Flammpunkt (°F): 10.4 °F
• Flammpunkt (°C): -12 °C
• Siedepunkt (°C): 69°C
• Molekulargewicht: 100.260 g/mol
• XLogP3: 3.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 3
• Exact Mass: 100.197 Da
• Monoisotopic Mass: 100.197 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 6
• Formal Charge: 0
• Complexity: 12.000
• Isotope Atom Count: 14
• 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