4-Methoxyphenylmagnesium bromide solution - 0.5M in THF , CAS No.13139-86-1

CAS: 13139-86-1 Cat. No.: M466010 Formule: C₇H₇OMgBr Poids moléculaire: 211.34 Numéro CE: 603-481-0

GRADE & PURITY 0.5M in THF

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Spécifications et pureté

0.5M in THF

Conditions de stockage de stockage

Store at 2-8°C,Argon charged

Expédié en

Wet ice

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Noms et identifiants

Pubchem Sid

528760836

Sourires canoniques

COC1=CC=[C-]C=C1.[Mg+2].[Br-]

IUPAC Name

magnesium;methoxybenzene;bromide

InChIKey

RBWRWAUAVRMBAC-UHFFFAOYSA-M

INCHI

1S/C7H7O.BrH.Mg/c1-8-7-5-3-2-4-6-7;;/h3-6H,1H3;1H;/q-1;;+2/p-1

Isomères SMILES

COC1=CC=[C-]C=C1.[Mg+2].[Br-]

Numéro ONU

2924

Groupe d'emballage

II

Poids moléculaire

211.34

Reaxy-Rn

607032

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=607032&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: 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
• 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 - Aromatic homomonocyclic compound
• Description: 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

Propriétés chimiques et physiques

• Sensibilité: Air sensitive；Heat sensitive
• Point d'éclair (°F): -4 °F
• Point d'éclair (°C): -20 °C
• Point d'ébullition (°C): 65-67°C
• Poids moléculaire: 211.340 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 209.953 Da
• Monoisotopic Mass: 209.953 Da
• Topological Polar Surface Area: 9.200 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 145.000
• 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