1,2-Bis(3-indenyl)ethane - ≥98%(HPLC) , CAS No.18657-57-3

CAS: 18657-57-3 Cat. No.: B152445 Summenformel: C₂₀H₁₈ Molekulargewicht: 258.36

GRADE & PURITY ≥98%(HPLC)

Synonyms

1,2-di(1H-inden-3-yl)ethane | B2281 | 1H-Indene,3,3'-(1,2-ethanediyl)bis- | 1-[2-(1H-inden-1-yl)ethyl]-1H-indene | 1H-Indene, 3,3'-(1,2-ethanediyl)bis- | InChI=1/C20H18/c1-3-7-19-15(5-1)9-11-17(19)13-14-18-12-10-16-6-2-4-8-20(16)18/h1-8,11-12H,9-10,13-14H

Storage

Room temperature

Shipped In

Normal

Übersicht

1,2-Bis(3-indenyl)ethane is an indene derivative.

Specifications

Synonyme

1,2-di(1H-inden-3-yl)ethane | B2281 | 1H-Indene,3,3'-(1,2-ethanediyl)bis- | 1-[2-(1H-inden-1-yl)ethyl]-1H-indene | 1H-Indene, 3,3'-(1,2-ethanediyl)bis- | InChI=1/C20H18/c1-3-7-19-15(5-1)9-11-17(19)13-14-18-12-10-16-6-2-4-8-20(16)18/h1-8,11-12H,9-10,13-14H

Spezifikationen & Reinheit

≥98%(HPLC)

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥98%(HPLC)

Namen und Kennungen

• Pubchem Sid: 488194420
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488194420
• Kanonisches Lächeln: C1C=C(C2=CC=CC=C21)CCC3=CCC4=CC=CC=C43
• IUPAC Name: 3-[2-(3H-inden-1-yl)ethyl]-1H-indene
• InChIKey: CQAQBIQKEFJNRZ-UHFFFAOYSA-N
• INCHI: 1S/C20H18/c1-3-7-19-15(5-1)9-11-17(19)13-14-18-12-10-16-6-2-4-8-20(16)18/h1-8,11-12H,9-10,13-14H2
• Isomere SMILES: C1C=C(C2=CC=CC=C21)CCC3=CCC4=CC=CC=C43
• WGK Deutschland: 3
• Molekulargewicht: 258.36
• Reaxy-Rn: 3055002
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3055002&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Klasse Indenes and isoindenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Indenes and isoindenes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Indenes and isoindenes
• Alternative Parents: Aromatic hydrocarbons Polycyclic hydrocarbons Branched unsaturated hydrocarbons Cyclic olefins
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Indene - Aromatic hydrocarbon - Branched unsaturated hydrocarbon - Polycyclic hydrocarbon - Cyclic olefin - Unsaturated hydrocarbon - Olefin - Hydrocarbon - Aromatic homopolycyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as indenes and isoindenes. These are compounds containing an indene moiety(which consists of a cyclopentadiene fused to a benzene ring), or a isoindene moiety (which consists of a cyclopentadiene fused to cyclohexadiene ring).
• 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

Chemische und physikalische Eigenschaften

• Schmelzpunkt (°C): 121-126°C
• Molekulargewicht: 258.399 g/mol
• XLogP3: 4.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 3
• Exact Mass: 258.141 Da
• Monoisotopic Mass: 258.141 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 374.000
• 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