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

CAS: 628-41-1 Cat. No.: C109678 Summenformel: C₆H₈ Molekulargewicht: 80.13 Beilstein Registry Number: 1900733 EG-Nummer: 211-043-1

GRADE & PURITY ≥97%

Synonyms

1,4-Dihydrobenzene | 0F8Z5909QZ | CHEBI:37611 | AKOS015902349 | AM20100536 | BP-31161 | 1,4 cyclohexadiene | D89254 | 1,4-Cyclohexadiene ~0.1% hydroquinone as stabilizer | 1,4-CYCLOHEXADIENE | EINECS 211-043-1 | DTXSID0060854 | InChI=1/C6H8/c1-2-4-6-5-3-1

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice,FedEx DG Service

Specifications

Synonyme

1,4-Dihydrobenzene | 0F8Z5909QZ | CHEBI:37611 | AKOS015902349 | AM20100536 | BP-31161 | 1,4 cyclohexadiene | D89254 | 1,4-Cyclohexadiene ~0.1% hydroquinone as stabilizer | 1,4-CYCLOHEXADIENE | EINECS 211-043-1 | DTXSID0060854 | InChI=1/C6H8/c1-2-4-6-5-3-1

Spezifikationen & Reinheit

≥97%

Storage

Store at 2-8°C,Argon charged

Verschickt in

Wet ice,FedEx DG Service

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥97%

Namen und Kennungen

• Pubchem Sid: 508807101
• Kanonisches Lächeln: 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
• Isomere SMILES: C1C=CCC=C1
• WGK Deutschland: 3
• UN-Nummer: 3295
• Verpackungsgruppe: II
• Molekulargewicht: 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
    • Klasse Unsaturated hydrocarbons
      • Subclass Olefins

• Kingdom: Organic compounds
• Superclass: Hydrocarbons
• Klasse: 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
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• Löslichkeit: Insoluble in water; Soluble in Methanol
• Empfindlichkeit: Heat and Air Sensitive
• Brechungsindex: 1.472
• Flammpunkt (°F): 19.4 °F
• Flammpunkt (°C): -6℃
• Siedepunkt (°C): 81-82°C
• Schmelzpunkt (°C): -49.2°C
• Molekulargewicht: 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

Referenzen

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]