Benzylzinc bromide solution - 0.5M in THF , CAS No.62673-31-8

CAS: 62673-31-8 Cat. No.: B465975 Molecular Weight: 236.42 EC Number: 627-093-6

GRADE & PURITY 0.5M in THF

Synonyms

benzylzinc bromide | SCHEMBL17596168 | Benzylzinc bromide, 0.5M in THF, packaged under Argon in resealable ChemSeal bottles | Benzylzinc bromide 0.5 M in Tetrahydrofuran | AKOS016017868 | Benzylzinc bromide, 0.50 M in THF | MFCD00671803 | bromozinc(1+);me

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Overview

Description

Benzylzinc bromide solution can be used as a nucleophile for the Mannich-type synthesis of 1,2-diarylethylpiperazines. It can also undergo C−C cross coupling reactions with aryl halides.

Specifications

Synonyms

benzylzinc bromide | SCHEMBL17596168 | Benzylzinc bromide, 0.5M in THF, packaged under Argon in resealable ChemSeal bottles | Benzylzinc bromide 0.5 M in Tetrahydrofuran | AKOS016017868 | Benzylzinc bromide, 0.50 M in THF | MFCD00671803 | bromozinc(1+);me

Specifications & Purity

0.5M in THF

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: [CH2-]C1=CC=CC=C1.[Zn+]Br
• IUPAC Name: bromozinc(1+);methanidylbenzene
• InChIKey: WRSWIWOVJBYZAW-UHFFFAOYSA-M
• INCHI: 1S/C7H7.BrH.Zn/c1-7-5-3-2-4-6-7;;/h2-6H,1H2;1H;/q-1;;+2/p-1
• Isomeric SMILES: [CH2-]C1=CC=CC=C1.[Zn+]Br
• UN Number: 3399
• Packing Group: II
• Molecular Weight: 236.42
• Reaxy-Rn: 4243556
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4243556&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: 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

Chemical and Physical Properties

• Sensitivity: Air sensitive；Hygroscopic
• Flash Point(°F): 1.0°F
• Flash Point(°C): -17.22°C
• Boil Point(°C): 68.3° C at 760 mmHg (Predicted)
• Molecular Weight: 236.400 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 233.902 Da
• Monoisotopic Mass: 233.902 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 50.900
• 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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