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

CAS: 21666-38-6 Cat. No.: H121283 Fórmula: CD₃(CD₂)₄CD₃ Peso molecular: 100.26 Beilstein Registry Number: 100.26 Número CE: 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

Visão geral

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

Specifications

Sinónimos

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 |

Especificações e pureza

≥99 atom% D

Condições de armazenamento de armazenamento

Protected from light,Room temperature,Argon charged

Enviado em

Normal

Pureza

≥99 atom% D

Nomes e identificadores

Pubchem Sid

508813878

Pubchem Sid Url

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

Sorrisos canónicos

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

SMILES isoméricas

[2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])[2H]

WGK Alemanha

3

CAS alternativo

110-54-3（ Unlabeled）

Peso molecular

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
    • 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
• Descrição: 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

Propriedades químicas e físicas

• Solubilidade: Mixes with most organic solvents, chloroform, ether and alcohol. Insoluble in water.
• Sensibilidade: Hygroscopic；Light sensitive
• Índice de refração: 1.3718
• Ponto de inflamação (°F): 10.4 °F
• Ponto de inflamação (°C): -12 °C
• Ponto de ebulição (°C): 69°C
• Peso molecular: 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