4-Methoxy-2-methylphenylmagnesium bromide solution - ≥95% , CAS No.148706-30-3

CAS: 148706-30-3 Cat. No.: B301153 分子式: CH₃OC₆H₃(CH₃)MgBr 分子量: 225.37

GRADE & PURITY ≥95%

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

仕様と純度

≥95%

保管条件

Store at 2-8°C,Argon charged

入荷

Wet ice

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

純度

≥95%

名前と識別子

• カノニカル・スマイル: CC1=[C-]C=CC(=C1)OC.[Mg+2].[Br-]
• IUPAC Name: magnesium;1-methoxy-3-methylbenzene-4-ide;bromide
• InChIKey: RXSNLPFCJCJYQB-UHFFFAOYSA-M
• INCHI: 1S/C8H9O.BrH.Mg/c1-7-4-3-5-8(6-7)9-2;;/h3,5-6H,1-2H3;1H;/q-1;;+2/p-1
• 異性体SMILES: CC1=[C-]C=CC(=C1)OC.[Mg+2].[Br-]
• WGKドイツ: 3
• 分子量: 225.37
• Reaxy-Rn: 5859520
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=5859520&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 分類 Phenol ethers
      • Subclass Anisoles

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 分類: Phenol ethers
• Subclass: Anisoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Anisoles
• Alternative Parents: Phenoxy compounds Methoxybenzenes Alkyl aryl ethers Organic metal halides Organic metal bromide salts Organic bromide salts Hydrocarbon derivatives Organic cations
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenoxy compound - Methoxybenzene - Anisole - Alkyl aryl ether - Monocyclic benzene moiety - 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
• 説明: This compound belongs to the class of organic compounds known as anisoles. These are organic compounds containing a methoxybenzene or a derivative thereof.
• 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

• 感度: Air sensitive
• 引火点（°F）: <1.4 °F
• 引火点（°C）: <-17 °C
• 分子量: 225.370 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 223.969 Da
• Monoisotopic Mass: 223.969 Da
• Topological Polar Surface Area: 9.200 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 194.000
• 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