4-エチルフェニルマグネシウム臭化物溶液 - 0.THF中の5M溶液 , CAS No.22873-28-5

CAS: 22873-28-5 Cat. No.: E168794 分子式: C₂H₅C₆H₄MgBr 分子量: 209.37 EC番号: 607-174-2

GRADE & PURITY 0.5M solution in THF

Storage

Room temperature

Shipped In

ノーマル

Specifications

仕様と純度

0.THF中の5M溶液

保管条件

Room temperature

入荷

ノーマル

名前と識別子

• パブケム・シド: 528759950
• カノニカル・スマイル: CCC1=CC=[C-]C=C1.[Mg+2].[Br-]
• IUPAC Name: magnesium;ethylbenzene;bromide
• InChIKey: QSGSHZBZGXYVOQ-UHFFFAOYSA-M
• INCHI: 1S/C8H9.BrH.Mg/c1-2-8-6-4-3-5-7-8;;/h4-7H,2H2,1H3;1H;/q-1;;+2/p-1
• 異性体SMILES: CCC1=CC=[C-]C=C1.[Mg+2].[Br-]
• WGKドイツ: 3
• 分子量: 209.37
• Reaxy-Rn: 4129417
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4129417&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 分類 Benzene and substituted derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 分類: Benzene and substituted derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzene and substituted derivatives
• Alternative Parents: Organic metal halides Organic metal bromide salts Organic bromide salts Hydrocarbon derivatives Organic cations
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Monocyclic benzene moiety - Organic metal halide - Organic metal bromide salt - Hydrocarbon derivative - Organic bromide salt - Organic salt - Organic cation - Aromatic homomonocyclic compound
• 説明: This compound belongs to the class of organic compounds known as benzene and substituted derivatives. These are aromatic compounds containing one monocyclic ring system consisting of benzene.
• 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

化学的性質と物理的性質

• 引火点（°F）: 1.4 °F
• 引火点（°C）: -17 °C
• 分子量: 209.370 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 207.974 Da
• Monoisotopic Mass: 207.974 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 140.000
• 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

XLogP3