2-Thienylzinc bromide solution - 0.5M in THF , CAS No.45438-80-0

CAS: 45438-80-0 Cat. No.: T466024 Formula: C₄H₃BrSZn Molecular Weight: 228.43 PubChem CID: 4428324

GRADE & PURITY 0.5M in THF

Storage

Store at 2-8°C

Shipped In

Wet ice

Overview

Description

2-Thienylzinc bromide can be used as:A starting material in the synthesis of heteroaryl sulfonamides by reacting with 2,4,6-trichlorophenyl chlorosulfate.A substrate in the synthesis of naphthacenodithiophene derived polymers, which are used in transistor and solar cell devices.An intermediate in the preparation of isoquinoline derived AICARFT inhibitors.

Specifications

Specifications & Purity

0.5M in THF

Legal Information

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

Storage

Store at 2-8°C

Shipped In

Wet ice

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

Names and Identifiers

Canonical Smiles

C1=CS[C-]=C1.[Zn+]Br

IUPAC Name

bromozinc(1+);2H-thiophen-2-ide

InChIKey

KRDONBTWAGIZME-UHFFFAOYSA-M

INCHI

1S/C4H3S.BrH.Zn/c1-2-4-5-3-1;;/h1-3H;1H;/q-1;;+2/p-1

Isomeric SMILES

C1=CS[C-]=C1.[Zn+]Br

WGK Germany

3

PubChem CID

4428324

Molecular Weight

228.43

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Heteroaromatic compounds

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Heteroaromatic compounds
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Heteroaromatic compounds
• Alternative Parents: Thiophenes Organic transition metal salts Organic metal halides Organic metal bromide salts Hydrocarbon derivatives Organic cations
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Heteroaromatic compound - Thiophene - Organic metal halide - Organic metal bromide salt - Organic metal salt - Organic transition metal salt - Hydrocarbon derivative - Organic salt - Organic cation - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as heteroaromatic compounds. These are compounds containing an aromatic ring where a carbon atom is linked to an hetero atom.
• 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

• Flash Point(°F): 1.4 °F
• Flash Point(°C): -17 °C
• Molecular Weight: 228.400 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 225.843 Da
• Monoisotopic Mass: 225.843 Da
• Topological Polar Surface Area: 25.300 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 79.800
• 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

Frequently Asked Questions

How should this product be stored?

Store at 2–8 °C. Refrigerated storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships chilled on wet ice. Unpack on arrival and transfer it to the storage condition stated above.

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

The CAS Number is 45438-80-0, the molecular formula is C4H3BrSZn, and the molecular weight is 228.43 g/mol. InChIKey KRDONBTWAGIZME-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.