2-(3-Bromophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane - ≥96% , CAS No.594823-67-3

CAS: 594823-67-3 Cat. No.: B185449 Peso molecular: 283 Número EC: 805-466-6

GRADE & PURITY ≥96%

Synonyms

Z2044819436 | DTXSID80433892 | MFCD12545926 | AMY8912 | FHCWGLQDAMYXJS-UHFFFAOYSA-N | (3-BROMOPHENYL)BORONIC ACID PINACOL ESTER | AKOS016001641 | 3-Bromo-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-yl)benzene | B6024 | 3-Bromophenylboronic acid pinacol ester

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

Z2044819436 | DTXSID80433892 | MFCD12545926 | AMY8912 | FHCWGLQDAMYXJS-UHFFFAOYSA-N | (3-BROMOPHENYL)BORONIC ACID PINACOL ESTER | AKOS016001641 | 3-Bromo-(4, 4, 5, 5-tetramethyl-1, 3, 2-dioxaborolan-yl)benzene | B6024 | 3-Bromophenylboronic acid pinacol ester

Especificaciones y pureza

≥96%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥96%

Nombres e identificadores

• Pubchem Sid: 504765186
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504765186
• Sonrisas canónicas: B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC=C2)Br
• IUPAC Name: 2-(3-bromophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
• InChIKey: FHCWGLQDAMYXJS-UHFFFAOYSA-N
• INCHI: 1S/C12H16BBrO2/c1-11(2)12(3,4)16-13(15-11)9-6-5-7-10(14)8-9/h5-8H,1-4H3
• Isómeros SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC=C2)Br
• Peso molecular: 283
• Reaxy-Rn: 9481201
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=9481201&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Halobenzenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Bromobenzenes
• Alternative Parents: Aryl bromides Dioxaborolanes Boronic acid esters Oxacyclic compounds Organic metalloid salts Organooxygen compounds Organometalloid compounds Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Bromobenzene - Aryl bromide - Aryl halide - Boronic acid ester - 1,3,2-dioxaborolane - Boronic acid derivative - Oxacycle - Organic metalloid salt - Organoheterocyclic compound - Organooxygen compound - Hydrocarbon derivative - Organic oxygen compound - Organohalogen compound - Organic metalloid moeity - Organobromide - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as bromobenzenes. These are organic compounds containing a bromine atom attached to a benzene ring.
• 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

• Solubilidad: Soluble in Methanol
• Punto de fusión (°C): 46-50°C
• Peso molecular: 282.970 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 282.043 Da
• Monoisotopic Mass: 282.043 Da
• Topological Polar Surface Area: 18.500 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 252.000
• 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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