1,4-Diethylbenzene - ≥99% , CAS No.105-05-5

CAS: 105-05-5 Cat. No.: D107653 Fórmula: C₁₀H₁₄ Peso molecular: 134.22 Beilstein Registry Number: 1903396 Número EC: 203-265-2

GRADE & PURITY ≥99%

Synonyms

1,4-DIETHYLBENZENE | 1,4-Diethylbenzene 100 microg/mL in Methanol | InChI=1/C10H14/c1-3-9-5-7-10(4-2)8-6-9/h5-8H,3-4H2,1-2H | CAS-105-05-5 | DIETHYLBENZENE, 1,4- | p-Diethylbenzene 1,4-Diethylbenzene | 1,4-Diethylbenzene, 96% | 1,4-Diethylbenzene, analyti

Storage

Room temperature

Shipped In

FedEx DG Service

Specifications

Sinónimos

1,4-DIETHYLBENZENE | 1,4-Diethylbenzene 100 microg/mL in Methanol | InChI=1/C10H14/c1-3-9-5-7-10(4-2)8-6-9/h5-8H,3-4H2,1-2H | CAS-105-05-5 | DIETHYLBENZENE, 1,4- | p-Diethylbenzene 1,4-Diethylbenzene | 1,4-Diethylbenzene, 96% | 1,4-Diethylbenzene, analyti

Especificaciones y pureza

≥99%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

FedEx DG Service

Pureza

≥99%

Nombres e identificadores

Pubchem Sid

488180545

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488180545

Sonrisas canónicas

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

Isómeros SMILES

CCC1=CC=C(C=C1)CC

WGK Alemania

3

RTECS

CZ5640700

Número ONU

2049

Grupo de embalaje

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
    • Clase Benzene and substituted derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: 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
• Descripción: 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

Propiedades químicas y físicas

• Solubilidad: Insoluble in water, soluble in most organic solvents such as ethanol, benzene, and carbon tetrachloride.
• Índice de refracción: 1.5
• Punto de inflamación (°F): 131 °F
• Punto de inflamación (°C): 55 °C
• Punto de ebullición (°C): 184°C
• Punto de fusión (°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