Dichlorophenylborane - ≥98%(T) , CAS No.873-51-8

CAS: 873-51-8 Cat. No.: D155799 Molecular Weight: 158.82 Beilstein Registry Number: 2243580 EC Number: 629-153-7

GRADE & PURITY ≥98%(T)

Synonyms

Borine, dichlorophenyl- | Phenylboron dibromide | D4367 | InChI=1/C6H5BCl2/c8-7(9)6-4-2-1-3-5-6/h1-5 | phenyldichloroboron | SCHEMBL29602 | FT-0633047 | D90280 | Tri(2-butoxyethanol) phosphate | NSC93889 | UNII-SLG75RQ9B6 | EPA Pesticide Chemical Code 285

Storage

Room temperature,Argon charged

Shipped In

Normal

Overview

Dichlorophenylborane can be used as a catalyst for: The synthesis of an antiproliferative macrolide and cell migration inhibitor lactimidomycin. Enantioselective synthesis of polyketide segments using vinylogous Mukaiyama aldol reactions. Enantioselective Diels-Alder cycloadditions after its reaction with allo-threonine derivatives. Stereoselective alkylative ring opening of cyclic anhydrides. Cross-metathesis reaction of amino derivatives with olefins. Asymmetric acetate aldol reactions.

Specifications

Synonyms

Borine, dichlorophenyl- | Phenylboron dibromide | D4367 | InChI=1/C6H5BCl2/c8-7(9)6-4-2-1-3-5-6/h1-5 | phenyldichloroboron | SCHEMBL29602 | FT-0633047 | D90280 | Tri(2-butoxyethanol) phosphate | NSC93889 | UNII-SLG75RQ9B6 | EPA Pesticide Chemical Code 285

Specifications & Purity

≥98%(T)

Storage

Room temperature, Argon charged

Shipped In

Normal

Purity

≥98%(T)

Names and Identifiers

• Pubchem Sid: 504757087
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504757087
• Canonical Smiles: B(C1=CC=CC=C1)(Cl)Cl
• IUPAC Name: dichloro(phenyl)borane
• InChIKey: NCQDQONETMHUMY-UHFFFAOYSA-N
• INCHI: 1S/C6H5BCl2/c8-7(9)6-4-2-1-3-5-6/h1-5H
• Isomeric SMILES: B(C1=CC=CC=C1)(Cl)Cl
• WGK Germany: 3
• Molecular Weight: 158.82
• Beilstein: 2243580
• Reaxy-Rn: 2243576
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2243576&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzene and substituted derivatives
• Alternative Parents: Boronic acid derivatives Organic metalloid salts Organoboron compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Monocyclic benzene moiety - Boronic acid derivative - Organic metalloid salt - Hydrocarbon derivative - Organic salt - Organoboron compound - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as benzene and substituted derivatives. These are aromatic compounds containing one monocyclic ring system consisting of benzene.
• 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: Soluble in water (Reacts violently).
• Sensitivity: Moisture sensitive.
• Refractive Index: 1.54
• Flash Point(°F): 57°F
• Flash Point(°C): 14°C
• Boil Point(°C): 175°C
• Melt Point(°C): 7°C(lit.)
• Molecular Weight: 158.820 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 157.986 Da
• Monoisotopic Mass: 157.986 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 79.100
• 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