2,5-Dichlorophenylboronic acid(contains varying amounts of Anhydride) - ≥98% , CAS No.135145-90-3

CAS: 135145-90-3 Cat. No.: D103582 Peso molecular: 190.82 Número EC: 680-174-8

GRADE & PURITY ≥98%

Synonyms

2,5-dichlorobenzene boronic acid | STL554325 | BCP33014 | BP-12144 | FT-0610301 | BBL100531 | Boronic acid, (2,5-dichlorophenyl)- | EN300-28250 | AS-14905 | NNTFPBXQPOQRBT-UHFFFAOYSA-N | D3044 | J-507321 | 2,5-Dichlorobenzeneboronic Acid | 2,5-Dichlorophe

Storage

Room temperature

Shipped In

Normal

Descripción general

application：

Reactant for:

Regioselective iodination using silver salts

Pd-catalyzed Suzuki-Miyaura coupling

Rhodium(I)-catalyzed carbonylative cyclization of alkynes

Copper catalyzed coupling reactions

Specifications

Sinónimos

2, 5-dichlorobenzene boronic acid | STL554325 | BCP33014 | BP-12144 | FT-0610301 | BBL100531 | Boronic acid, (2, 5-dichlorophenyl)- | EN300-28250 | AS-14905 | NNTFPBXQPOQRBT-UHFFFAOYSA-N | D3044 | J-507321 | 2, 5-Dichlorobenzeneboronic Acid | 2, 5-Dichlorophe

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 504761818
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504761818
• Sonrisas canónicas: B(C1=C(C=CC(=C1)Cl)Cl)(O)O
• IUPAC Name: (2,5-dichlorophenyl)boronic acid
• InChIKey: NNTFPBXQPOQRBT-UHFFFAOYSA-N
• INCHI: 1S/C6H5BCl2O2/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3,10-11H
• Isómeros SMILES: B(C1=C(C=CC(=C1)Cl)Cl)(O)O
• WGK Alemania: 3
• Peso molecular: 190.82
• Reaxy-Rn: 4801290
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4801290&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Halobenzenes
        • Level5 Chlorobenzenes
          • Level6 Dichlorobenzenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Halobenzenes
• Intermediate Tree Nodes: Chlorobenzenes
• Direct Parent: Dichlorobenzenes
• Alternative Parents: Aryl chlorides Boronic acids Organic metalloid salts Organochlorides Organoboron compounds Organic oxygen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: 1,4-dichlorobenzene - 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
• Descripción: This compound belongs to the class of organic compounds known as dichlorobenzenes. These are compounds containing a benzene with exactly two chlorine atoms attached to it.
• 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

Propiedades químicas y físicas

• Punto de fusión (°C): 210°C-217°C
• Peso molecular: 190.820 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 189.976 Da
• Monoisotopic Mass: 189.976 Da
• Topological Polar Surface Area: 40.500 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 134.000
• 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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