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

CAS: 629-20-9 Cat. No.: C281422 Formula: C₈H₈ Peso molecolare: 104.15 Numero EC: 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

Sinonimi

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

Specifiche e purezza

≥98%

Condizioni di conservazione di stoccaggio

Store at -20°C

Spedito in

Ice chest + Ice pads,FedEx DG Service

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Purezza

≥98%

Nomi e identificatori

• Pubchem Sid: 488190862
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488190862
• Sorrisi canonici: 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-
• Isomeri SMILES: C\1=C\C=C/C=C\C=C1
• Numero UN: 2358
• Gruppo di imballaggio: II
• Peso molecolare: 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
• Descrizione: 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

Proprietà chimiche e fisiche

• Solubilità: Very soluble in Ethanol,Ether,Benzene
• Sensibilità: air sensitive;Light sensitive ;hot sensitive
• Indice di rifrazione: 1.54
• Punto di ebollizione (°C): 142-143℃
• Punto di fusione (°C): -5℃
• Peso molecolare: 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

Riferimenti

1. Shunqin Chen, Han Yang, Shan Zhang, Faze Zhu, Shan Liu, Huan Gao, Qing Diao, Wenbo Ding, Yuemeng Chen, Peng Luo, Yubo Liu.  (2024)  Simultaneous determination of 28 illegal drugs in sewage by high throughput online SPE-ISTD-UHPLC-MS/MS.  Heliyon,      [PMID:38524584] [10.1016/j.heliyon.2024.e27897]