2-Bromomethyl-4-fluorobenzeneboronic acid pinacol ester - ≥97% , CAS No.850567-57-6

CAS: 850567-57-6 Cat. No.: B590329 Peso molecular: 314.99

GRADE & PURITY ≥97%

Synonyms

2-Bromomethyl-4-fluorobenzeneboronic acid pinacol ester | 2-(2-(Bromomethyl)-4-fluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane | 2-(Bromomethyl)-4-fluorobenzeneboronic acid, pinacol ester | 2-Bromomethyl-4-fluorophenylboronic acid,pinacol ester | AS

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Sinónimos

2-Bromomethyl-4-fluorobenzeneboronic acid pinacol ester | 2-(2-(Bromomethyl)-4-fluorophenyl)-4, 4, 5, 5-tetramethyl-1, 3, 2-dioxaborolane | 2-(Bromomethyl)-4-fluorobenzeneboronic acid, pinacol ester | 2-Bromomethyl-4-fluorophenylboronic acid, pinacol ester | AS

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Argon charged

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥97%

Nombres e identificadores

• Sonrisas canónicas: B1(OC(C(O1)(C)C)(C)C)C2=C(C=C(C=C2)F)CBr
• IUPAC Name: 2-[2-(bromomethyl)-4-fluorophenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
• InChIKey: SFRDMJLPJZYEJB-UHFFFAOYSA-N
• INCHI: 1S/C13H17BBrFO2/c1-12(2)13(3,4)18-14(17-12)11-6-5-10(16)7-9(11)8-15/h5-7H,8H2,1-4H3
• Isómeros SMILES: B1(OC(C(O1)(C)C)(C)C)C2=C(C=C(C=C2)F)CBr
• Peso molecular: 314.99
• Reaxy-Rn: 18361206
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=18361206&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Benzyl halides
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzyl bromides
• Alternative Parents: Fluorobenzenes Aryl fluorides Dioxaborolanes Boronic acid esters Oxacyclic compounds Organic metalloid salts Organooxygen compounds Organometalloid compounds Organofluorides Organobromides Hydrocarbon derivatives Alkyl bromides
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Benzyl bromide - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Boronic acid ester - 1,3,2-dioxaborolane - Boronic acid derivative - Oxacycle - Organic metalloid salt - Organoheterocyclic compound - Organofluoride - Organooxygen compound - Alkyl halide - Alkyl bromide - 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 benzyl bromides. These are organic compounds containing a benzene skeleton substituted with a bromomethyl group.
• 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): 47-48°C
• Peso molecular: 314.990 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 314.049 Da
• Monoisotopic Mass: 314.049 Da
• Topological Polar Surface Area: 18.500 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 295.000
• 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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