(3-Bromo-2-chlorophenyl)boronic acid(contains varying amounts of Anhydride) - ≥97% , CAS No.352535-98-9

CAS: 352535-98-9 Cat. No.: B670117 Molecular Weight: 235.27 EC Number: 865-471-4 PubChem CID: 44558165

GRADE & PURITY ≥97%

Synonyms

(3-bromo-2-chlorophenyl)boronic acid | 3-bromo-2-chlorophenylboronic acid | 3-bromo-2-chloro-phenylboronic acid | MFCD13184263 | DTXSID30659383 | 3-Bromo-2-chlorophenylboronicacid | CPA53598 | (3-bromo-2-chlorophenyl)boronicacid | AKOS015892922 | SY205198

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Synonyms

(3-bromo-2-chlorophenyl)boronic acid | 3-bromo-2-chlorophenylboronic acid | 3-bromo-2-chloro-phenylboronic acid | MFCD13184263 | DTXSID30659383 | 3-Bromo-2-chlorophenylboronicacid | CPA53598 | (3-bromo-2-chlorophenyl)boronicacid | AKOS015892922 | SY205198

Specifications & Purity

≥97%

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

≥97%

Names and Identifiers

• Canonical Smiles: B(C1=C(C(=CC=C1)Br)Cl)(O)O
• IUPAC Name: (3-bromo-2-chlorophenyl)boronic acid
• InChIKey: YCMXATUQDUMDGW-UHFFFAOYSA-N
• INCHI: 1S/C6H5BBrClO2/c8-5-3-1-2-4(6(5)9)7(10)11/h1-3,10-11H
• Isomeric SMILES: B(C1=C(C(=CC=C1)Br)Cl)(O)O
• PubChem CID: 44558165
• Molecular Weight: 235.27

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Halobenzenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Chlorobenzenes
• Alternative Parents: Bromobenzenes Aryl chlorides Aryl bromides Boronic acids Organic metalloid salts Organometalloid compounds Organochlorides Organobromides Organic oxygen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Chlorobenzene - Bromobenzene - Aryl halide - Aryl chloride - Aryl bromide - Boronic acid - Boronic acid derivative - Organic metalloid salt - Organic oxygen compound - Hydrocarbon derivative - Organochloride - Organobromide - Organic metalloid moeity - Organohalogen compound - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as chlorobenzenes. These are compounds containing one or more chlorine atoms attached to a benzene 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: 235.270 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 233.925 Da
• Monoisotopic Mass: 233.925 Da
• Topological Polar Surface Area: 40.500 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 136.000
• 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