4'-Chloro-4-biphenylboronic Acid (contains varying amounts of Anhydride) - ≥98% , CAS No.364044-44-0

CAS: 364044-44-0 Cat. No.: C193002 Molecular Weight: 232.47 EC Number: 841-893-4

GRADE & PURITY ≥98%

Synonyms

4'-CHLORO-4-BIPHENYLBORONIC ACID | C12H10BClO2 | A823230 | DS-13386 | FT-0700940 | [4-(4-chlorophenyl)phenyl]boronic acid | SCHEMBL1954438 | (4'-CHLORO-[1,1'-BIPHENYL]-4-YL)BORONIC ACID | (4'-Chloro[1,1'-biphenyl]-4-yl)boronic acid | (4'-CHLORO-[1,1'-BIPH

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

4'-CHLORO-4-BIPHENYLBORONIC ACID | C12H10BClO2 | A823230 | DS-13386 | FT-0700940 | [4-(4-chlorophenyl)phenyl]boronic acid | SCHEMBL1954438 | (4'-CHLORO-[1, 1'-BIPHENYL]-4-YL)BORONIC ACID | (4'-Chloro[1, 1'-biphenyl]-4-yl)boronic acid | (4'-CHLORO-[1, 1'-BIPH

Specifications & Purity

≥98%

Storage

Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 504768431
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504768431
• Canonical Smiles: B(C1=CC=C(C=C1)C2=CC=C(C=C2)Cl)(O)O
• IUPAC Name: [4-(4-chlorophenyl)phenyl]boronic acid
• InChIKey: FVKZNRXWZCBUPY-UHFFFAOYSA-N
• INCHI: 1S/C12H10BClO2/c14-12-7-3-10(4-8-12)9-1-5-11(6-2-9)13(15)16/h1-8,15-16H
• Isomeric SMILES: B(C1=CC=C(C=C1)C2=CC=C(C=C2)Cl)(O)O
• Molecular Weight: 232.47
• Reaxy-Rn: 13906756
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=13906756&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: Chlorinated biphenyls
• Alternative Parents: Chlorobenzenes Aryl chlorides Boronic acids Organic metalloid salts Organochlorides Organoboron compounds Organic oxygen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Chlorinated biphenyl - Halobenzene - Chlorobenzene - Aryl halide - Aryl chloride - Boronic acid - Boronic acid derivative - Organic metalloid salt - Organic oxygen compound - Hydrocarbon derivative - Organic salt - Organochloride - Organoboron compound - Organohalogen compound - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as chlorinated biphenyls. These are organic compounds containing at least one chlorine atom attached to either benzene ring of the biphenyl moiety.
• 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

• Molecular Weight: 232.470 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 232.046 Da
• Monoisotopic Mass: 232.046 Da
• Topological Polar Surface Area: 40.500 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 209.000
• 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