2,5-Dimethylphenylmagnesium bromide - 0.5M in THF , CAS No.30897-86-0

CAS: 30897-86-0 Cat. No.: D466015 Formula: C₈H₉BrMg Peso molecolare: 209.37

GRADE & PURITY 0.5M in THF

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Specifiche e purezza

0.5M in THF

Informazioni legali

Rieke® Metals, Inc. 产品 ®Rieke Metals, Inc. 的注册商标

Condizioni di conservazione di stoccaggio

Store at 2-8°C,Argon charged

Spedito in

Wet ice

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Nomi e identificatori

Pubchem Sid

528755561

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/528755561

Sorrisi canonici

CC1=C[C-]=C(C=C1)C.[Mg+2].[Br-]

IUPAC Name

magnesium;1,4-dimethylbenzene-6-ide;bromide

InChIKey

OOJAWTIYZUSKLZ-UHFFFAOYSA-M

INCHI

1S/C8H9.BrH.Mg/c1-7-3-5-8(2)6-4-7;;/h3-5H,1-2H3;1H;/q-1;;+2/p-1

Isomeri SMILES

CC1=C[C-]=C(C=C1)C.[Mg+2].[Br-]

WGK Germania

1

Numero UN

2924

Peso molecolare

209.37

Reaxy-Rn

4130377

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4130377&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: 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
• Descrizione: 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

Proprietà chimiche e fisiche

• Sensibilità: air sensitive
• Punto di ebollizione (°C): 65°C
• Peso molecolare: 209.370 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• 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: 178.000
• 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