1,4-Diethylbenzene - Standard for GC, ≥99.5%(GC) , CAS No.105-05-5

CAS: 105-05-5 Cat. No.: D107652 Fórmula: C₁₀H₁₄ Peso molecular: 134.22 Beilstein Registry Number: 1903396 Número CE: 203-265-2

GRADE & PURITY Standard for GC, ≥99.5%(GC)

Synonyms

1,4-DIETHYLBENZENE|105-05-5|p-Diethylbenzene|Benzene, 1,4-diethyl-|p-Ethylethylbenzene|Benzene, p-diethyl-|para-Diethylbenzene|1,4-diethyl-benzene|0PSM16X42D|DTXSID4026711|CHEBI:34062|1,4-Diethylbenzene-d14|HSDB 4083|EINECS 203-265-2|UNII-0PSM16X42D|Benze

Storage

Room temperature

Shipped In

FedEx DG Service

Specifications

Sinónimos

1,4-DIETHYLBENZENE | 105-05-5 | p-Diethylbenzene | Benzene, 1,4-diethyl- | p-Ethylethylbenzene | Benzene, p-diethyl- | para-Diethylbenzene | 1,4-diethyl-benzene | 0PSM16X42D | DTXSID4026711 | CHEBI:34062 | 1,4-Diethylbenzene-d14 | HSDB 4083 | EINECS 203-265-2 | UNII-0PSM16X42D | Benze

Especificações e pureza

Standard for GC, ≥99.5%(GC)

Condições de armazenamento de armazenamento

Room temperature

Enviado em

FedEx DG Service

Grau

Standard for GC

Pureza

≥99.5%(GC)

Nomes e identificadores

• Pubchem Sid: 508807067
• Sorrisos canónicos: CCC1=CC=C(C=C1)CC
• IUPAC Name: 1,4-diethylbenzene
• InChIKey: DSNHSQKRULAAEI-UHFFFAOYSA-N
• INCHI: 1S/C10H14/c1-3-9-5-7-10(4-2)8-6-9/h5-8H,3-4H2,1-2H3
• SMILES isoméricas: CCC1=CC=C(C=C1)CC
• WGK Alemanha: 3
• RTECS: CZ5640700
• Número UN: 2049
• Grupo de embalagem: III
• Peso molecular: 134.22
• Beilstein: 1903396
• Reaxy-Rn: 1903396
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1903396&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzene and substituted derivatives
• Alternative Parents: Aromatic hydrocarbons Unsaturated hydrocarbons
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Monocyclic benzene moiety - Aromatic hydrocarbon - Unsaturated hydrocarbon - Hydrocarbon - Aromatic homomonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as benzene and substituted derivatives. These are aromatic compounds containing one monocyclic ring system consisting of benzene.
• External Descriptors: benzenes

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: Insoluble in water, soluble in most organic solvents such as ethanol, benzene, and carbon tetrachloride.
• Índice de refração: 1.5
• Ponto de inflamação (°F): 131 °F
• Ponto de inflamação (°C): 55 °C
• Ponto de ebulição (°C): 184°C
• Ponto de fusão (°C): -43°C(lit.)
• Peso molecular: 134.220 g/mol
• XLogP3: 3.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 2
• Exact Mass: 134.11 Da
• Monoisotopic Mass: 134.11 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 66.000
• Isotope Atom Count: 0
• 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

Referências

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2. Ziqi Sun, Meiling Qi.  (2022)  High separation performance of carbon dioxide-based poly(ether-carbonate) copolymer for gas chromatographic analyses.  JOURNAL OF CHROMATOGRAPHY A,      [PMID:36166885] [10.1016/j.chroma.2022.463493]

3. Xue Xiong, Meiling Qi.  (2020)  A novel column fabrication approach for capillary gas chromatography via a cross-linked organogel network with high stability and inertness.  NEW JOURNAL OF CHEMISTRY,  44  (25): (10621-10627).  [PMID:] [10.1039/D0NJ02185G]

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