Lithium phenoxide solution - 1.0M in THF , CAS No.555-24-8

CAS: 555-24-8 Cat. No.: L466142 Fórmula: C₆H₅OLi Peso molecular: 100.04 Beilstein Registry Number: 3569793 Número CE: 209-086-6

GRADE & PURITY 1.0M in THF

Synonyms

PHENOL, LITHIUM SALT (1:1) | PHENOXYLITHIUM | Lithium phenoxide | lithium phenate | Phenollithium | EINECS 209-086-6 | AKOS017345158 | lithium phenolate | Phenol, lithium salt | LITHIUM PHENOXIDE, 98 | ALT9PA9AVA | SCHEMBL23001 | lithium;phenoxide | XAVQZ

Storage

Room temperature

Specifications

Sinónimos

PHENOL, LITHIUM SALT (1:1) | PHENOXYLITHIUM | Lithium phenoxide | lithium phenate | Phenollithium | EINECS 209-086-6 | AKOS017345158 | lithium phenolate | Phenol, lithium salt | LITHIUM PHENOXIDE, 98 | ALT9PA9AVA | SCHEMBL23001 | lithium;phenoxide | XAVQZ

Especificações e pureza

1.0M in THF

Condições de armazenamento de armazenamento

Room temperature

Nomes e identificadores

• Sorrisos canónicos: [Li+].C1=CC=C(C=C1)[O-]
• IUPAC Name: lithium;phenoxide
• InChIKey: XAVQZBGEXVFCJI-UHFFFAOYSA-M
• INCHI: 1S/C6H6O.Li/c7-6-4-2-1-3-5-6;/h1-5,7H;/q;+1/p-1
• SMILES isoméricas: [Li+].C1=CC=C(C=C1)[O-]
• Número UN: 2924
• Peso molecular: 100.04
• Beilstein: 3569793
• Reaxy-Rn: 3569793
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3569793&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Phenoxides

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Phenoxides
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenoxides
• Alternative Parents: Organic lithium salts Organooxygen compounds Organic oxides Hydrocarbon derivatives Organic cations
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenoxide - Organic lithium salt - Organic alkali metal salt - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organic salt - Organooxygen compound - Organic cation - Aromatic homomonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as phenoxides. These are salts or analogous metal derivatives of phenols.
• 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

Propriedades químicas e físicas

• Ponto de inflamação (°F): -2.2 °F - closed cup
• Ponto de inflamação (°C): -19 °C - closed cup
• Ponto de ebulição (°C): 67℃
• Peso molecular: 100.100 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 100.05 Da
• Monoisotopic Mass: 100.05 Da
• Topological Polar Surface Area: 23.100 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 50.500
• 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