3-Biphenylboroni（ccontains varying amounts of Anhydride) - ≥98% , CAS No.5122-95-2

CAS: 5122-95-2 Cat. No.: B101971 Molecular Weight: 198.03 Beilstein Registry Number: 16(3)1280 EC Number: 671-848-2

GRADE & PURITY ≥98%

Synonyms

{[1,1'-biphenyl]-3-yl}boronic acid | AM20050465 | STL555878 | BDBM26126 | biphenyl-3-ylboronic acid | 1,1'-biphenyl-3-ylboronic acid | A7569 | B2489 | 3-biphenyl boronic acid | Z1203159465 | (3-phenylphenyl)boranediol | [1,1'-Diphenyl]-3-ylboronic acid |

Storage

Room temperature

Shipped In

Normal

Overview

Biological reagent used as a boronate-assisted fluorogenic chemosensor Evaluated for pharmacological activity as fatty acid amide hydrolase inhibitors Reactant involved in: · Coupling with potassium cyanate, quinones, or fluorous tagged N-hydroxyphthalimide · Direct C-H arylation of electron-deficient heterocycles

Specifications

Synonyms

{[1, 1'-biphenyl]-3-yl}boronic acid | AM20050465 | STL555878 | BDBM26126 | biphenyl-3-ylboronic acid | 1, 1'-biphenyl-3-ylboronic acid | A7569 | B2489 | 3-biphenyl boronic acid | Z1203159465 | (3-phenylphenyl)boranediol | [1, 1'-Diphenyl]-3-ylboronic acid |

Specifications & Purity

≥98%

Storage

Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 488192531
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488192531
• Canonical Smiles: B(C1=CC(=CC=C1)C2=CC=CC=C2)(O)O
• IUPAC Name: (3-phenylphenyl)boronic acid
• InChIKey: GOXICVKOZJFRMB-UHFFFAOYSA-N
• INCHI: 1S/C12H11BO2/c14-13(15)12-8-4-7-11(9-12)10-5-2-1-3-6-10/h1-9,14-15H
• Isomeric SMILES: B(C1=CC(=CC=C1)C2=CC=CC=C2)(O)O
• WGK Germany: 3
• Molecular Weight: 198.03
• Beilstein: 16(3)1280
• Reaxy-Rn: 2836311
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2836311&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Biphenyls and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Biphenyls and derivatives
• Alternative Parents: Boronic acids Organic metalloid salts Organoboron compounds Organic oxygen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Biphenyl - Boronic acid - Boronic acid derivative - Organic metalloid salt - Organic oxygen compound - Hydrocarbon derivative - Organic salt - Organoboron compound - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as biphenyls and derivatives. These are organic compounds containing to benzene rings linked together by a C-C bond.
• 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

Associated Targets(Human)

MGLL Tchem Monoglyceride lipase (1909 Activities)

Discover Target: MGLL

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Associated Targets(non-human)

bla Beta-lactamase TEM (457 Activities)

Discover Target: bla

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Faah Anandamide amidohydrolase (3907 Activities)

Discover Target: Faah

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Escherichia coli (133304 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Insoluble in water.
• Melt Point(°C): 193-198°C
• Molecular Weight: 198.030 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 198.085 Da
• Monoisotopic Mass: 198.085 Da
• Topological Polar Surface Area: 40.500 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 190.000
• 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

XLogP3