Butylzinc bromide solution - 0.5M in THF , CAS No.92273-73-9

CAS: 92273-73-9 Cat. No.: B465987 Molecular Weight: 202.4

GRADE & PURITY 0.5M in THF

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Overview

Description

Butylzinc bromide is an organozinc compound, which can be used as a reagent:In palladium-catalyzed Negishi cross-coupling reaction to construct carbon-carbon bond by reacting with organic halides or triflates.To preparen-butylanisole by treating with 4-bromoanisole in the presence of a tetraphosphine ligand and a palladium catalyst.

Specifications

Specifications & Purity

0.5M in THF

Legal Information

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

Storage

Store at 2-8°C, Argon charged

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Names and Identifiers

• Canonical Smiles: CCC[CH2-].[Zn+]Br
• IUPAC Name: bromozinc(1+);butane
• InChIKey: PRWJKDARXFAPOY-UHFFFAOYSA-M
• INCHI: 1S/C4H9.BrH.Zn/c1-3-4-2;;/h1,3-4H2,2H3;1H;/q-1;;+2/p-1
• Isomeric SMILES: CCC[CH2-].[Zn+]Br
• Molecular Weight: 202.4
• Reaxy-Rn: 4304477
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4304477&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic salts
    • Class Organic metal salts
      • Subclass Organic metal halides

• Kingdom: Organic compounds
• Superclass: Organic salts
• Class: Organic metal salts
• Subclass: Organic metal halides
• Intermediate Tree Nodes: Not available
• Direct Parent: Organic metal halides
• Alternative Parents: Organic transition metal salts Organic metal bromide salts Organic bromide salts Hydrocarbon derivatives Organic cations
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Organic metal halide - Organic metal bromide salt - Organic transition metal salt - Hydrocarbon derivative - Organic bromide salt - Organic cation - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as organic metal halides. These are organic compounds containing metals and halogens. Some are ionic while others are covalently bonded.
• 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

Chemical and Physical Properties

• Solubility: Reacts with water.
• Sensitivity: air and moisture sensitive
• Molecular Weight: 202.400 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 199.918 Da
• Monoisotopic Mass: 199.918 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 6
• Formal Charge: 0
• Complexity: 11.500
• 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

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