4-Phenoxyphenylmagnesium bromide solution - 0.5M in THF , CAS No.21473-02-9

CAS: 21473-02-9 Cat. No.: P465910 Summenformel: C₁₂H₉BrMgO Molekulargewicht: 273.41

GRADE & PURITY 0.5M in THF

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Spezifikationen & Reinheit

0.5M in THF

Storage

Store at 2-8°C,Argon charged

Verschickt in

Wet ice

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Namen und Kennungen

Pubchem Sid

528761058

Kanonisches Lächeln

C1=CC=C(C=C1)OC2=CC=[C-]C=C2.[Mg+2].[Br-]

IUPAC Name

magnesium;phenoxybenzene;bromide

InChIKey

MPMNUCMJDPWNCV-UHFFFAOYSA-M

INCHI

1S/C12H9O.BrH.Mg/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;;/h1,3-10H;1H;/q-1;;+2/p-1

Isomere SMILES

C1=CC=C(C=C1)OC2=CC=[C-]C=C2.[Mg+2].[Br-]

WGK Deutschland

3

UN-Nummer

2924

Verpackungsgruppe

II

Molekulargewicht

273.41

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Klasse Benzene and substituted derivatives
      • Subclass Diphenylethers

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Benzene and substituted derivatives
• Subclass: Diphenylethers
• Intermediate Tree Nodes: Not available
• Direct Parent: Diphenylethers
• Alternative Parents: Diarylethers Phenoxy compounds Phenol ethers Organic metal halides Organic metal bromide salts Organic bromide salts Hydrocarbon derivatives Organic cations
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Diphenylether - Diaryl ether - Phenoxy compound - Phenol ether - Organic metal halide - Organic metal bromide salt - Ether - Organic oxygen compound - Hydrocarbon derivative - Organic bromide salt - Organic salt - Organooxygen compound - Organic cation - Aromatic homomonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as diphenylethers. These are aromatic compounds containing two benzene rings linked to each other through an ether group.
• 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

Chemische und physikalische Eigenschaften

• Empfindlichkeit: Heat sensitive；Moisture sensitive；Air sensitive
• Siedepunkt (°C): 65 °C
• Molekulargewicht: 273.410 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 271.969 Da
• Monoisotopic Mass: 271.969 Da
• Topological Polar Surface Area: 9.200 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 236.000
• 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: 3

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