Phenethylzinc bromide solution - 0.5M in THF , CAS No.308796-14-7

CAS: 308796-14-7 Cat. No.: P465938 Formule: C₆H₅CH₂CH₂ZnBr Poids moléculaire: 250.45 PubChem CID: 5214896

GRADE & PURITY 0.5M in THF

Storage

Store at 2-8°C

Shipped In

Wet ice

Vue d’ensemble

Description

Phenethylzinc bromide can be used as a reagent:In the transition metal-catalyzed Negishi cross-coupling reaction to prepare aryl or heteroaryl derivatives by reacting with organic halides or triflates via carbon-carbon bond formation.To prepare (4-phenyl-1-butyn-1-yl)benzene by reacting with phenylacetylene via palladium-catalyzed cross-coupling reaction.To synthesize benzyl substituted thienopyrimidine derivatives.

Specifications

Spécifications et pureté

0.5M in THF

Informations juridiques

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

Conditions de stockage de stockage

Store at 2-8°C

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

• Sourires canoniques: [CH2-]CC1=CC=CC=C1.[Zn+]Br
• IUPAC Name: bromozinc(1+);ethylbenzene
• InChIKey: YHVLYRZWQLDARE-UHFFFAOYSA-M
• INCHI: 1S/C8H9.BrH.Zn/c1-2-8-6-4-3-5-7-8;;/h3-7H,1-2H2;1H;/q-1;;+2/p-1
• Isomères SMILES: [CH2-]CC1=CC=CC=C1.[Zn+]Br
• WGK Allemagne: 3
• PubChem CID: 5214896
• Poids moléculaire: 250.45

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 transition metal salts 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 - Organic metal salt - Organic transition metal salt - Hydrocarbon derivative - Organic bromide salt - Organic salt - Organic cation - Aromatic homomonocyclic compound
• Description: 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

Propriétés chimiques et physiques

• Point d'éclair (°F): 1.4 °F
• Point d'éclair (°C): -17 °C
• Poids moléculaire: 250.400 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 247.918 Da
• Monoisotopic Mass: 247.918 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 60.300
• 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: 2

XLogP3

Foire aux questions

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 308796-14-7, the molecular formula is C6H5CH2CH2ZnBr, and the molecular weight is 250.45 g/mol. InChIKey YHVLYRZWQLDARE-UHFFFAOYSA-M.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.