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

CAS: 21666-38-6 Cat. No.: H121283 Peso molecular: 100.26 Beilstein Registry Number: 100.26 Número EC: 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

Descripción general

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 |

Especificaciones y pureza

≥99 atom% D

Condiciones de almacenamiento de almacenamiento

Protected from light, Room temperature, Argon charged

Enviado en

Normal

Pureza

≥99 atom% D

Nombres e identificadores

• Sonrisas canónicas: 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
• Isómeros SMILES: [2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])[2H]
• WGK Alemania: 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
    • 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

• Solubilidad: Mixes with most organic solvents, chloroform, ether and alcohol. Insoluble in water.
• Sensibilidad: Hygroscopic；Light sensitive
• Índice de refracción: 1.3718
• Punto de inflamación (°F): 10.4 °F
• Punto de inflamación (°C): -12 °C
• Punto de ebullición (°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

Referencias

1. Gao Zhiwen, Wang Yu, Yuan Lei, Shi Xinrui, Shang Yihao, Jiang Jingang, Zhang Min, Fang Shuhui, Zhang Wei, Liu Yue.  (2024)  Room-temperature co-upcycling of polyvinyl chloride and polypropylene.  Nature Sustainability,      [PMID:] [10.1038/s41893-024-01468-7]