2,5-Thiophenediylbisboronic acid(contains varying amounts of Anhydride) - ≥95% , CAS No.26076-46-0

CAS: 26076-46-0 Cat. No.: T169113 Molecular Weight: 171.78 EC Number: 629-071-1 PubChem CID: 2770906

GRADE & PURITY ≥95%

Synonyms

THIENE-2,5-DIYLDIBORONIC ACID | DS-17899 | J-016244 | Boronic acid, 2,5-thiophenediylbis- | DTXSID10377891 | MFCD01114699 | SKFDVFMUXZWWOW-UHFFFAOYSA-N | Thiophene-2,5-diboronic acid | F1371-0178 | Thiophene-2,5-diyldiboronicacid | 2,5-ThiophenediboronicA

Storage

Room temperature

Shipped In

Normal

Overview

Application

2,5-Thiophenediylbisboronic acid can be used: As a reactant in the metal catalyzed Suzuki cross coupling reactions. To prepare 2,5-bis(2-pyridyl)thiophene, a thiophene based ligand which is used in the design of fluorescent mercury-sensor. To fabricate graphene-based biosensors for the detection of glucose and Escherichia coli in a complex medium.

Specifications

Synonyms

THIENE-2, 5-DIYLDIBORONIC ACID | DS-17899 | J-016244 | Boronic acid, 2, 5-thiophenediylbis- | DTXSID10377891 | MFCD01114699 | SKFDVFMUXZWWOW-UHFFFAOYSA-N | Thiophene-2, 5-diboronic acid | F1371-0178 | Thiophene-2, 5-diyldiboronicacid | 2, 5-ThiophenediboronicA

Specifications & Purity

≥95%

Storage

Room temperature

Shipped In

Normal

Purity

≥95%

Names and Identifiers

• Pubchem Sid: 488193428
• Canonical Smiles: B(C1=CC=C(S1)B(O)O)(O)O
• IUPAC Name: (5-boronothiophen-2-yl)boronic acid
• InChIKey: SKFDVFMUXZWWOW-UHFFFAOYSA-N
• INCHI: 1S/C4H6B2O4S/c7-5(8)3-1-2-4(11-3)6(9)10/h1-2,7-10H
• Isomeric SMILES: B(C1=CC=C(S1)B(O)O)(O)O
• WGK Germany: 3
• PubChem CID: 2770906
• Molecular Weight: 171.78

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: Heteroaromatic compounds Boronic acids Organic metalloid salts Organoboron compounds Organic oxygen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 2,5-disubstituted thiophene - Heteroaromatic compound - Boronic acid - Boronic acid derivative - Organic metalloid salt - Organic oxygen compound - Hydrocarbon derivative - Organic salt - Organoboron 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

• Melt Point(°C): 250°C
• Molecular Weight: 171.800 g/mol
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 172.017 Da
• Monoisotopic Mass: 172.017 Da
• Topological Polar Surface Area: 109.000 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 119.000
• 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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