Sodium acetylide suspension - 18 wt% in dimethylbenzene , CAS No.1066-26-8

CAS: 1066-26-8 Cat. No.: S100550 Molecular Weight: 48.02 Beilstein Registry Number: 3587232 EC Number: 213-908-9 PubChem CID: 2733336

GRADE & PURITY 18 wt% in dimethylbenzene

Synonyms

AKOS005258173 | DTXSID50910044 | FT-0746174 | monosodium acetylide | Ethynyl sodium | Sodium acetylide | Sodium ethyn-1-ide | ethynylsodium | EINECS 213-908-9 | Q17417384 | BCP26358 | sodium ethynide | MFCD00008568 | sodium;ethyne | SLBNQJAGYKQCKI-UHFFFAO

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Overview

Sodium acetylide suspension has been used in the preparation of: 2-ethynyladamantan-2-ol1 apical-equatorial (ae) isomer of (Et4N)3[1-(2′-B10H9)-2-NH3B10H8]2 trimethylsilylacetylene3

Specifications

Synonyms

AKOS005258173 | DTXSID50910044 | FT-0746174 | monosodium acetylide | Ethynyl sodium | Sodium acetylide | Sodium ethyn-1-ide | ethynylsodium | EINECS 213-908-9 | Q17417384 | BCP26358 | sodium ethynide | MFCD00008568 | sodium;ethyne | SLBNQJAGYKQCKI-UHFFFAO

Specifications & Purity

18 wt% in dimethylbenzene

Storage

Store at 2-8°C, Argon charged

Shipped In

Wet ice

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

Names and Identifiers

• Canonical Smiles: C#[C-].[Na+]
• IUPAC Name: sodium;ethyne
• InChIKey: SFDZETWZUCDYMD-UHFFFAOYSA-N
• INCHI: 1S/C2H.Na/c1-2;/h1H;/q-1;+1
• Isomeric SMILES: C#[C-].[Na+]
• WGK Germany: 3
• PubChem CID: 2733336
• UN Number: 3399
• Molecular Weight: 48.02
• Beilstein: 3587232

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Acetylides

• Kingdom: Organic compounds
• Superclass: Acetylides
• Class: Not available
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Acetylides
• Alternative Parents: Organic sodium salts Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Acetylide - Hydrocarbon derivative - Organic sodium salt - Organic salt - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as acetylides. These are compounds arising by replacement of one or both hydrogen atoms of acetylene (ethyne) by a metal or other cationic group. E.g. NaC#CH monosodium acetylide. By extension, analogous compounds derived from terminal acetylenes, RC#CH. The class is limited here to derivatives of acetylene where the hydrogen atom is replaced with an element with similar or lower electronegativity that carbon.
• External Descriptors: organic sodium salt - acetylide

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: Reacts with water.
• Sensitivity: Air & Moisture Sensitive
• Flash Point(°F): 77 °F
• Flash Point(°C): 29℃
• Molecular Weight: 48.020 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 47.9976 Da
• Monoisotopic Mass: 47.9976 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 3
• Formal Charge: 0
• Complexity: 10.800
• 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

XLogP3

References

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5. Yao Tong, Zhanzhong Wang, Leping Dang, Hongyuan Wei.  (2016)  Solid–liquid phase equilibrium and ternary phase diagrams of ethenzamide-saccharin cocrystals in different solvents.  FLUID PHASE EQUILIBRIA,      [PMID:] [10.1016/j.fluid.2016.02.047]

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