Cyclooctatetraene - ≥98% , CAS No.629-20-9

CAS: 629-20-9 Cat. No.: C281422 Fórmula: C₈H₈ Peso molecular: 104.15 Número CE: 211-080-3

GRADE & PURITY ≥98%

Synonyms

CYCLOOCTATETRAENE [MI] | 1,5,7-Cyclooctatetraene | AJ19R479CQ | Cyclooctatetraene | NSC5093 | NSC-5093 | Cyclooctatetraene [UN2358] [Flammable liquid] | UN 2358 | (1Z,3Z,5Z,7Z)-cycloocta-1,3,5,7-tetraene | NSC 5093 | AKOS025311186 | AKOS015840921 | BBL02

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads,FedEx DG Service

Specifications

Sinónimos

CYCLOOCTATETRAENE [MI] | 1,5,7-Cyclooctatetraene | AJ19R479CQ | Cyclooctatetraene | NSC5093 | NSC-5093 | Cyclooctatetraene [UN2358] [Flammable liquid] | UN 2358 | (1Z,3Z,5Z,7Z)-cycloocta-1,3,5,7-tetraene | NSC 5093 | AKOS025311186 | AKOS015840921 | BBL02

Especificações e pureza

≥98%

Condições de armazenamento de armazenamento

Store at -20°C

Enviado em

Ice chest + Ice pads,FedEx DG Service

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Pureza

≥98%

Nomes e identificadores

Pubchem Sid

488190862

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488190862

Sorrisos canónicos

C1=CC=CC=CC=C1

IUPAC Name

cyclooctatetraene

InChIKey

KDUIUFJBNGTBMD-DLMDZQPMSA-N

INCHI

1S/C8H8/c1-2-4-6-8-7-5-3-1/h1-8H/b2-1-,3-1?,4-2?,5-3-,6-4-,7-5?,8-6?,8-7-

SMILES isoméricas

C\1=C\C=C/C=C\C=C1

Número UN

2358

Grupo de embalagem

II

Peso molecular

104.15

Reaxy-Rn

2496800

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2496800&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Hydrocarbons
    • Classe Unsaturated hydrocarbons
      • Subclass Olefins
        • Level5 Cyclic olefins
          • Level6 Cycloalkenes

• Kingdom: Organic compounds
• Superclass: Hydrocarbons
• Classe: Unsaturated hydrocarbons
• Subclass: Olefins
• Intermediate Tree Nodes: Cyclic olefins
• Direct Parent: Cycloalkenes
• Alternative Parents: Unsaturated aliphatic hydrocarbons
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: Cycloalkene - Unsaturated aliphatic hydrocarbon - Aliphatic homomonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as cycloalkenes. These are unsaturated monocyclic hydrocarbons having one endocyclic double bond.
• External Descriptors: Not available

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: Very soluble in Ethanol,Ether,Benzene
• Sensibilidade: air sensitive;Light sensitive ;hot sensitive
• Índice de refração: 1.54
• Ponto de ebulição (°C): 142-143℃
• Ponto de fusão (°C): -5℃
• Peso molecular: 104.150 g/mol
• XLogP3: 3.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 104.063 Da
• Monoisotopic Mass: 104.063 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 86.400
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 4
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 4
• Covalently-Bonded Unit Count: 1

Perguntas frequentes

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at ?20 °C. Freezer storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 629-20-9, the molecular formula is C8H8, and the molecular weight is 104.15 g/mol. InChIKey KDUIUFJBNGTBMD-DLMDZQPMSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.