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

CAS: 629-20-9 Cat. No.: C281422 Formula: C₈H₈ Molecular Weight: 104.15 EC Number: 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

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

Specifications & Purity

≥98%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads,FedEx DG Service

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥98%

Names and Identifiers

Pubchem Sid

488190862

Pubchem Sid Url

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

Canonical Smiles

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-

Isomeric SMILES

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

UN Number

2358

Packing Group

II

Molecular Weight

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
    • Class Unsaturated hydrocarbons
      • Subclass Olefins
        • Level5 Cyclic olefins
          • Level6 Cycloalkenes

• Kingdom: Organic compounds
• Superclass: Hydrocarbons
• Class: 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
• Description: 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

Chemical and Physical Properties

• Solubility: Very soluble in Ethanol,Ether,Benzene
• Sensitivity: air sensitive;Light sensitive ;hot sensitive
• x_refractive_index: 1.54
• x_boil_point_char: 142-143℃
• x_melt_point_char: -5℃
• Molecular Weight: 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

Frequently Asked Questions

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.