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

CAS: 18657-57-3 Cat. No.: B152445 Molecular Weight: 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

Overview

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

Specifications

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

Specifications & Purity

≥98%(HPLC)

Storage

Room temperature

Shipped In

Normal

Purity

≥98%(HPLC)

Names and Identifiers

• Pubchem Sid: 488194420
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488194420
• Canonical Smiles: 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
• Isomeric SMILES: C1C=C(C2=CC=CC=C21)CCC3=CCC4=CC=CC=C43
• WGK Germany: 3
• Molecular Weight: 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
    • Class Indenes and isoindenes

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

Chemical and Physical Properties

• Melt Point(°C): 121-126°C
• Molecular Weight: 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