3-Fluorophenylmagnesium bromide solution - 0.5 M in THF , CAS No.17318-03-5

CAS: 17318-03-5 Cat. No.: F137868 Molecular Weight: 199.3 EC Number: 627-049-6 PubChem CID: 2778196

GRADE & PURITY 0.5 M in THF

Synonyms

3-flurophenyl magnesium bromide | 3-Fluorophenylmagnesium bromide, 1.0 M in 2-MeTHF | MFCD00672007 | 3-Fluorophenylmagnesiumbromide | 3-Fluorophenylmagnesium bromide, 1.0 M in THF | AKOS015890800 | 3-fluorophenyl magnesium bromide | 3-Fluorophenylmagnesiu

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Synonyms

3-flurophenyl magnesium bromide | 3-Fluorophenylmagnesium bromide, 1.0 M in 2-MeTHF | MFCD00672007 | 3-Fluorophenylmagnesiumbromide | 3-Fluorophenylmagnesium bromide, 1.0 M in THF | AKOS015890800 | 3-fluorophenyl magnesium bromide | 3-Fluorophenylmagnesiu

Specifications & Purity

0.5 M in THF

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: C1=C[C-]=CC(=C1)F.[Mg+2].[Br-]
• IUPAC Name: magnesium;fluorobenzene;bromide
• InChIKey: DTKMKZYEOXZPQZ-UHFFFAOYSA-M
• INCHI: 1S/C6H4F.BrH.Mg/c7-6-4-2-1-3-5-6;;/h1-2,4-5H;1H;/q-1;;+2/p-1
• Isomeric SMILES: C1=C[C-]=CC(=C1)F.[Mg+2].[Br-]
• WGK Germany: 1
• PubChem CID: 2778196
• Molecular Weight: 199.3

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
• 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 - 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

• Sensitivity: Moisture & Air sensitive.
• Flash Point(°F): -5.8 °F
• Flash Point(°C): -21 °C
• Boil Point(°C): 65°C
• Molecular Weight: 199.300 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 197.933 Da
• Monoisotopic Mass: 197.933 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 149.000
• 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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