Pentafluorophenylmagnesium bromide solution - 0.5 M in diethyl ether , CAS No.879-05-0

CAS: 879-05-0 Cat. No.: P434312 Molecular Weight: 271.27 EC Number: 628-260-6 PubChem CID: 3319152

GRADE & PURITY 0.5 M in diethyl ether

Synonyms

SCHEMBL1446910 | DTXSID1075438 | AXQVMJIDNDRSFM-UHFFFAOYSA-M | pentafluorophenyl magnesiumbromide | Magnesium, bromo(pentafluorophenyl)- | C6F5MgBr | 4-(AMINOMETHYL)BENZENEBORONICACID | 2,3,4,5,6-Pentafluorophenylmagnesium bromide, 0.5 M in THF | magnesiu

Storage

Room temperature

Overview

Application

Employed in the synthesis of novel arsonic and arsinic acids as ligands for potential transition-metal ion extractants, and in the synthesis of polyfluoroaryl alkyl sulfides.

Specifications

Synonyms

SCHEMBL1446910 | DTXSID1075438 | AXQVMJIDNDRSFM-UHFFFAOYSA-M | pentafluorophenyl magnesiumbromide | Magnesium, bromo(pentafluorophenyl)- | C6F5MgBr | 4-(AMINOMETHYL)BENZENEBORONICACID | 2, 3, 4, 5, 6-Pentafluorophenylmagnesium bromide, 0.5 M in THF | magnesiu

Specifications & Purity

0.5 M in diethyl ether

Storage

Room temperature

Names and Identifiers

• Canonical Smiles: [C-]1=C(C(=C(C(=C1F)F)F)F)F.[Mg+2].[Br-]
• IUPAC Name: magnesium;1,2,3,4,5-pentafluorobenzene-6-ide;bromide
• InChIKey: AMQDBUIQKQUCKY-UHFFFAOYSA-M
• INCHI: 1S/C6F5.BrH.Mg/c7-2-1-3(8)5(10)6(11)4(2)9;;/h;1H;/q-1;;+2/p-1
• Isomeric SMILES: [C-]1=C(C(=C(C(=C1F)F)F)F)F.[Mg+2].[Br-]
• WGK Germany: 3
• PubChem CID: 3319152
• Molecular Weight: 271.27

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Halobenzenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Halobenzenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Fluorobenzenes
• Alternative Parents: Aryl fluorides Organic metal halides Organic metal bromide salts Organofluorides Organic bromide salts Hydrocarbon derivatives Organic cations
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Fluorobenzene - Aryl halide - Aryl fluoride - Organic metal halide - Organic metal bromide salt - Hydrocarbon derivative - Organic bromide salt - Organic salt - Organofluoride - Organohalogen compound - Organic cation - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as fluorobenzenes. These are compounds containing one or more fluorine atoms attached to a benzene ring.
• 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

• Flash Point(°F): -40 °F
• Flash Point(°C): -40 °C
• Melt Point(°C): 34.6℃
• Molecular Weight: 271.270 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 0
• Exact Mass: 269.895 Da
• Monoisotopic Mass: 269.895 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 266.000
• 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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