1,3-Cyclohexadiene - ≥95%, contains 0.1% BHT as stabilizer , CAS No.592-57-4

CAS: 592-57-4 Cat. No.: C189164 Formule: C₆H₈ Poids moléculaire: 80.13 Beilstein Registry Number: 506024 Numéro CE: 209-764-1

QUALITÉ & PURETÉ ≥95%, contains 0.1% BHT as stabilizer

Synonyms

1,3-CYCLOHEXADIENE|Cyclohexa-1,3-diene|592-57-4|CYCLOHEXADIENE|1,2-dihydrobenzene|JV5W0EG5BP|29797-09-9|1165952-91-9|Cyclohexadiene-1,3|EINECS 209-764-1|UNII-JV5W0EG5BP|MFCD00001532|cyclohexa-1|1,3 cyclohexadiene|2,4-cyclohexadiene|EINECS 249-853-2|1,-3-c

Storage

Store at 2-8°C

Shipped In

Wet ice,FedEx DG Service

Vue d’ensemble

Application

1,3-Cyclohexadiene can undergo:

·C-C coupling with aromatic alcohols via iridium-catalyzed hydrogen auto-transfer and with aldehydes via transfer hydrogenation mediated by isopropanol to form carbonyl addition products.

·Living anionic polymerization with n-BuLi/TMEDA system to form polycyclohexadiene.

·Platinum-catalyzed silaboration to form (1R,4S)-1-(dimethylphenylsilyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-cyclohexene.

·Aerobic palladium-catalyzed 1,4-diacetoxylation in the presence of cobalt tetra(hydroquinone)porphyrin as an electron transfer reagent.

Spécifications

Synonymes

1,3-CYCLOHEXADIENE | Cyclohexa-1,3-diene | 592-57-4 | CYCLOHEXADIENE | 1,2-dihydrobenzene | JV5W0EG5BP | 29797-09-9 | 1165952-91-9 | Cyclohexadiene-1,3 | EINECS 209-764-1 | UNII-JV5W0EG5BP | MFCD00001532 | cyclohexa-1 | 1,3 cyclohexadiene | 2,4-cyclohexadiene | EINECS 249-853-2 | 1,-3-c

Spécifications et pureté

≥95%, contains 0.1% BHT as stabilizer

Conditions de stockage de stockage

Store at 2-8°C

Expédié en

Wet ice,FedEx DG Service

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Pureté

≥95%

Noms et identifiants

Pubchem Sid

508807050

Sourires canoniques

C1CC=CC=C1

IUPAC Name

cyclohexa-1,3-diene

InChIKey

MGNZXYYWBUKAII-UHFFFAOYSA-N

INCHI

1S/C6H8/c1-2-4-6-5-3-1/h1-4H,5-6H2

Isomères SMILES

C1CC=CC=C1

WGK Allemagne

3

Poids moléculaire

80.13

Beilstein

506024

Reaxy-Rn

506024

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=506024&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
• Description: 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

Propriétés chimiques et physiques

• Solubilité: Slightly miscible with methanol. Immiscible with water
• Sensibilité: heat sensitive
• Indice de réfraction: 1.474
• Point d'éclair (°F): 17.6 °F
• Point d'éclair (°C): -8 °C
• Point d'ébullition (°C): 80 °C
• Poids moléculaire: 80.130 g/mol
• XLogP3: 2.500
• 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: 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