Pentadecylmagnesium bromide solution - 0.5M in diethyl ether , CAS No.78887-70-4

CAS: 78887-70-4 Cat. No.: P465868 Formule: C₁₅H₃₁BrMg Poids moléculaire: 315.62 Numéro CE: 628-253-8 PubChem CID: 4641098

GRADE & PURITY 0.5M in diethyl ether

Synonyms

Pentadecylmagnesium Bromide | pentadecyl-magnesium bromide | 1-Pentadecylmagnesium bromide, 0.50 M in THF | Pentadecylmagnesium Bromide (ca. 15% in Tetrahydrofuran, ca. 0.4mol/L) | AKOS015902902 | 1-Pentadecylmagnesium bromide, 0.50 M in 2-MeTHF | n-Penta

Storage

Room temperature

Specifications

Synonymes

Pentadecylmagnesium Bromide | pentadecyl-magnesium bromide | 1-Pentadecylmagnesium bromide, 0.50 M in THF | Pentadecylmagnesium Bromide (ca. 15% in Tetrahydrofuran, ca. 0.4mol/L) | AKOS015902902 | 1-Pentadecylmagnesium bromide, 0.50 M in 2-MeTHF | n-Penta

Spécifications et pureté

0.5M in diethyl ether

Conditions de stockage de stockage

Room temperature

Noms et identifiants

• Sourires canoniques: CCCCCCCCCCCCCC[CH2-].[Mg+2].[Br-]
• IUPAC Name: magnesium;pentadecane;bromide
• InChIKey: FAXYNDJJWMSBJG-UHFFFAOYSA-M
• INCHI: 1S/C15H31.BrH.Mg/c1-3-5-7-9-11-13-15-14-12-10-8-6-4-2;;/h1,3-15H2,2H3;1H;/q-1;;+2/p-1
• Isomères SMILES: CCCCCCCCCCCCCC[CH2-].[Mg+2].[Br-]
• WGK Allemagne: 3
• PubChem CID: 4641098
• Poids moléculaire: 315.62

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic salts
    • Classe Organic metal salts
      • Subclass Organic metal halides

• Kingdom: Organic compounds
• Superclass: Organic salts
• Classe: Organic metal salts
• Subclass: Organic metal halides
• Intermediate Tree Nodes: Not available
• Direct Parent: Organic metal halides
• Alternative Parents: Organic metal bromide salts Organic bromide salts Hydrocarbon derivatives Organic cations
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Organic metal halide - Organic metal bromide salt - Hydrocarbon derivative - Organic bromide salt - Organic cation - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as organic metal halides. These are organic compounds containing metals and halogens. Some are ionic while others are covalently bonded.
• 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

Propriétés chimiques et physiques

• Poids moléculaire: 315.620 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 12
• Exact Mass: 314.146 Da
• Monoisotopic Mass: 314.146 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 107.000
• 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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