Sodium-i-propylcyclopentadienide - ≥98% , CAS No.65090-77-9

CAS: 65090-77-9 Cat. No.: S281762 Molecular Weight: 130.17 EC Number: 627-785-8 PubChem CID: 16213221

GRADE & PURITY ≥98%

Synonyms

DTXSID10583819 | sodium;5-propan-2-ylcyclopenta-1,3-diene | MFCD00145308 | [1-(1-Methylethyl)-2,4-cyclopentadien-1-yl] sodium | Sodium isopropylcyclopentadienide | (1-isopropylcyclopenta-2,4-dienyl)sodium | IWYSOVJPHUTFIM-UHFFFAOYSA-N | sodium 1-(propan-2

Storage

Room temperature,Argon charged,Desiccated,Cool

Shipped In

Normal

Overview

Reactant for synthesis of:
Ruthenium-based bioconjugates
Cobalt sandwich diphosphine ligand and its chelated palladium complex
Niobium and zirconium complexes with asymmetrically substituted ansa ligands
Substituted vanadocenes
Isopropyl substituted cyclopentadiene ligands

Specifications

Synonyms

DTXSID10583819 | sodium;5-propan-2-ylcyclopenta-1, 3-diene | MFCD00145308 | [1-(1-Methylethyl)-2, 4-cyclopentadien-1-yl] sodium | Sodium isopropylcyclopentadienide | (1-isopropylcyclopenta-2, 4-dienyl)sodium | IWYSOVJPHUTFIM-UHFFFAOYSA-N | sodium 1-(propan-2

Specifications & Purity

≥98%

Storage

Room temperature, Argon charged, Desiccated, Cool

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 504768219
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504768219
• Canonical Smiles: CC(C)[C-]1C=CC=C1.[Na+]
• IUPAC Name: sodium;5-propan-2-ylcyclopenta-1,3-diene
• InChIKey: IWYSOVJPHUTFIM-UHFFFAOYSA-N
• INCHI: 1S/C8H11.Na/c1-7(2)8-5-3-4-6-8;/h3-7H,1-2H3;/q-1;+1
• Isomeric SMILES: CC(C)[C-]1C=CC=C1.[Na+]
• PubChem CID: 16213221
• Molecular Weight: 130.17

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Hydrocarbon derivatives

• Kingdom: Organic compounds
• Superclass: Hydrocarbon derivatives
• Class: Not available
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Hydrocarbon derivatives
• Alternative Parents: Organic sodium salts
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Hydrocarbon derivative - Organic sodium salt - Organic salt - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as hydrocarbon derivatives. These are derivatives of hydrocarbons obtained by substituting one or more carbon atoms by an heteroatom. They contain at least one carbon atom and heteroatom.
• 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

• Sensitivity: air sensitive, moisture sensitive
• Melt Point(°C): 175 °C
• Molecular Weight: 130.160 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 130.076 Da
• Monoisotopic Mass: 130.076 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 63.000
• 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: 2

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