1,4-cicloesadiene - ≥97% , CAS No.628-41-1

CAS: 628-41-1 Cat. No.: C109678 Formula: C₆H₈ Peso molecolare: 80.13 Beilstein Registry Number: 1900733 Numero EC: 211-043-1

GRADE & PURITY ≥97%

Synonyms

1,4-Diidrobenzene | 0F8Z5909QZ | CHEBI:37611 | AKOS015902349 | AM20100536 | BP-31161 | 1,4-Cicloesadiene | D89254 | 1,4-Cicloesadiene ~0,1% idrochinone come stabilizzatore | 1,4-CICLOESADIENE | EINECS 211-043-1 | DTXSID0060854 | InChI=1/C6H8/c1-2-4-6-5-3-

Storage

Conservare a 2-8°C, con carica di argon

Shipped In

Ghiaccio umido

Specifications

Sinonimi

1,4-Diidrobenzene | 0F8Z5909QZ | CHEBI:37611 | AKOS015902349 | AM20100536 | BP-31161 | 1,4-Cicloesadiene | D89254 | 1,4-Cicloesadiene ~0,1% idrochinone come stabilizzatore | 1,4-CICLOESADIENE | EINECS 211-043-1 | DTXSID0060854 | InChI=1/C6H8/c1-2-4-6-5-3-

Specifiche e purezza

≥97%

Condizioni di conservazione di stoccaggio

Conservare a 2-8°C, con carica di argon

Spedito in

Ghiaccio umido

Purezza

≥97%

Nomi e identificatori

• Pubchem Sid: 508807101
• Sorrisi canonici: C1C=CCC=C1
• IUPAC Name: cyclohexa-1,4-diene
• InChIKey: UVJHQYIOXKWHFD-UHFFFAOYSA-N
• INCHI: 1S/C6H8/c1-2-4-6-5-3-1/h1-2,5-6H,3-4H2
• Isomeri SMILES: C1C=CCC=C1
• WGK Germania: 3
• Numero UN: 3295
• Gruppo di imballaggio: II
• Peso molecolare: 80.13
• Beilstein: 1900733
• Reaxy-Rn: 1900733
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1900733&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Hydrocarbons
    • Classe Unsaturated hydrocarbons
      • Subclass Olefins

• Kingdom: Organic compounds
• Superclass: Hydrocarbons
• Classe: Unsaturated hydrocarbons
• Subclass: Olefins
• Intermediate Tree Nodes: Not available
• Direct Parent: Cyclic olefins
• Alternative Parents: Unsaturated aliphatic hydrocarbons
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: Cyclic olefin - Unsaturated aliphatic hydrocarbon - Aliphatic homomonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as cyclic olefins. These are olefins that contain at least one ring in their structure.
• External Descriptors: cyclohexadiene

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

Proprietà chimiche e fisiche

• Solubilità: Insoluble in water; Soluble in Methanol
• Sensibilità: Heat and Air Sensitive
• Indice di rifrazione: 1.472
• Punto di infiammabilità (°F): 19.4 °F
• Punto di infiammabilità (°C): -6℃
• Punto di ebollizione (°C): 81-82°C
• Punto di fusione (°C): -49.2°C
• Peso molecolare: 80.130 g/mol
• XLogP3: 2.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 80.0626 Da
• Monoisotopic Mass: 80.0626 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 6
• Formal Charge: 0
• Complexity: 58.000
• 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

Riferimenti

1. Yuan-Yuan Cui, Huan Yao, Cheng-Xiong Yang, Xiu-Ping Yan.  (2019)  In situ fabrication of microporous organic network coated capillary column for high resolution gas chromatographic separation of hydrocarbons.  ELECTROPHORESIS,      [PMID:30942493] [10.1002/elps.201800540]