5-Bromo-2-thienylboronic acid(contains varying amounts of Anhydride) - ≥95% , CAS No.162607-17-2

CAS: 162607-17-2 Cat. No.: B167711 Molecular Weight: 206.85 Beilstein Registry Number: 18(3/4)8398 EC Number: 678-207-6

GRADE & PURITY ≥95%

Synonyms

J-009956 | 5-bromo-2-thienylboronic acid | AKOS000280806 | (5-bromo-2-thienyl)boronic acid;(5-Bromothiophen-2-yl)boronic acid | 5-bromthiophene-2-boronic acid | A810389 | BCP05461 | DS-12407 | EN300-102441 | SY050413 | USJPOBDLWVCPGG-UHFFFAOYSA-N | 5-brom

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Overview

Reactant involved in: · Suzuki coupling reactions for the synthesis of benzotriazole-containing organic sensitizers and meso-Polyarylamide-BODIPY hybrids · Suzuki-Miyaura coupling for the synthesis of ratanhine · Microwave-assisted Sonogashira reactions for the synthesis of ethynylarylboronates

Specifications

Synonyms

J-009956 | 5-bromo-2-thienylboronic acid | AKOS000280806 | (5-bromo-2-thienyl)boronic acid;(5-Bromothiophen-2-yl)boronic acid | 5-bromthiophene-2-boronic acid | A810389 | BCP05461 | DS-12407 | EN300-102441 | SY050413 | USJPOBDLWVCPGG-UHFFFAOYSA-N | 5-brom

Specifications & Purity

≥95%

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.

Purity

≥95%

Names and Identifiers

• Pubchem Sid: 488192533
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488192533
• Canonical Smiles: B(C1=CC=C(S1)Br)(O)O
• IUPAC Name: (5-bromothiophen-2-yl)boronic acid
• InChIKey: USJPOBDLWVCPGG-UHFFFAOYSA-N
• INCHI: 1S/C4H4BBrO2S/c6-4-2-1-3(9-4)5(7)8/h1-2,7-8H
• Isomeric SMILES: B(C1=CC=C(S1)Br)(O)O
• WGK Germany: 3
• Molecular Weight: 206.85
• Beilstein: 18(3/4)8398
• Reaxy-Rn: 123766
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=123766&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Thiophenes
      • Subclass 2,5-disubstituted thiophenes

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Thiophenes
• Subclass: 2,5-disubstituted thiophenes
• Intermediate Tree Nodes: Not available
• Direct Parent: 2,5-disubstituted thiophenes
• Alternative Parents: Aryl bromides Heteroaromatic compounds Boronic acids Organic metalloid salts Organobromides Organoboron compounds Organic oxygen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 2,5-disubstituted thiophene - Aryl halide - Aryl bromide - Heteroaromatic compound - Boronic acid - Boronic acid derivative - Organic metalloid salt - Organic oxygen compound - Hydrocarbon derivative - Organic salt - Organobromide - Organoboron compound - Organohalogen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as 2,5-disubstituted thiophenes. These are organic compounds containing a thiophene that is disubstituted at the C-2, and C5-positions.
• 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: Slightly soluble in water; Soluble in Methanol
• Sensitivity: heat sensitive& air sensitive
• Melt Point(°C): 95-100°C
• Molecular Weight: 206.860 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 205.921 Da
• Monoisotopic Mass: 205.921 Da
• Topological Polar Surface Area: 68.700 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 103.000
• 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: 1

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