Cyclopentadienyllithium , CAS No.16733-97-4

CAS: 16733-97-4 Cat. No.: C752770 Formula: C₅H₅Li Molecular Weight: 72.03 EC Number: 627-659-2

Synonyms

Lithium cyclopentadiene

Storage

Store at 2-8°C,Protected from light,Argon charged,Desiccated

Shipped In

Wet ice

Specifications

Synonyms

Lithium cyclopentadiene

Storage

Store at 2-8°C,Protected from light,Argon charged,Desiccated

Shipped In

Wet ice

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

Names and Identifiers

Pubchem Sid

528773263

Canonical Smiles

[Li+].[CH-]1C=CC=C1

IUPAC Name

lithium;cyclopenta-1,3-diene

InChIKey

DBKDYYFPDRPMPE-UHFFFAOYSA-N

INCHI

1S/C5H5.Li/c1-2-4-5-3-1;/h1-5H;/q-1;+1

Isomeric SMILES

[Li+].[CH-]1C=CC=C1

WGK Germany

3

UN Number

3263

Packing Group

II

Molecular Weight

72.03

Reaxy-Rn

3562622

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3562622&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic salts
    • Class Organic metal salts
      • Subclass Organic alkali metal salts

• Kingdom: Organic compounds
• Superclass: Organic salts
• Class: Organic metal salts
• Subclass: Organic alkali metal salts
• Intermediate Tree Nodes: Not available
• Direct Parent: Organic lithium salts
• Alternative Parents: Hydrocarbon derivatives Organic cations
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Organic lithium salt - Hydrocarbon derivative - Organic cation - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as organic lithium salts. These are organic compounds containing a lithium ion.
• 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: Insoluble in water.
• Sensitivity: Air & Moisture Sensitive
• Molecular Weight: 72.100 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 72.0551 Da
• Monoisotopic Mass: 72.0551 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 6
• Formal Charge: 0
• Complexity: 23.100
• 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: 2

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