4,4,5,5-Tetramethyl-2-(3,4,5-trifluorophenyl)-1,3,2-dioxaborolane - ≥98% , CAS No.827614-70-0

CAS: 827614-70-0 Cat. No.: T161867 Peso molecular: 258.05 Número EC: 674-924-3 PubChem CID: 2760701

GRADE & PURITY ≥98%

Synonyms

1-(3-aminopyridin-4-yl)-ethanone | 3,4,5-trifluorophenylboronic acid, pinacol ester | 3,4,5-Trifluorophenylboronic acid pinacol ester | AKOS015960154 | 4,4,5,5-tetramethyl-2-(3,4,5-trifluorophenyl)-1,3,2-dioxaborolane | 1,2,3-Trifluoro-5-(4,4,5,5-tetramet

Storage

Room temperature,Cool

Shipped In

Normal

Specifications

Sinónimos

1-(3-aminopyridin-4-yl)-ethanone | 3, 4, 5-trifluorophenylboronic acid, pinacol ester | 3, 4, 5-Trifluorophenylboronic acid pinacol ester | AKOS015960154 | 4, 4, 5, 5-tetramethyl-2-(3, 4, 5-trifluorophenyl)-1, 3, 2-dioxaborolane | 1, 2, 3-Trifluoro-5-(4, 4, 5, 5-tetramet

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Room temperature, Cool

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 488193178
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488193178
• Sonrisas canónicas: B1(OC(C(O1)(C)C)(C)C)C2=CC(=C(C(=C2)F)F)F
• IUPAC Name: 4,4,5,5-tetramethyl-2-(3,4,5-trifluorophenyl)-1,3,2-dioxaborolane
• InChIKey: VFCTUUBAONBDJU-UHFFFAOYSA-N
• INCHI: 1S/C12H14BF3O2/c1-11(2)12(3,4)18-13(17-11)7-5-8(14)10(16)9(15)6-7/h5-6H,1-4H3
• Isómeros SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CC(=C(C(=C2)F)F)F
• PubChem CID: 2760701
• Peso molecular: 258.05
• Reaxy-Rn: 20753090

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: Fluorobenzenes
• Alternative Parents: Aryl fluorides Dioxaborolanes Boronic acid esters Oxacyclic compounds Organic metalloid salts Organooxygen compounds Organofluorides Organoboron compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Fluorobenzene - Aryl fluoride - Aryl halide - Boronic acid ester - 1,3,2-dioxaborolane - Boronic acid derivative - Oxacycle - Organic metalloid salt - Organoheterocyclic compound - Organohalogen compound - Organic salt - Hydrocarbon derivative - Organic oxygen compound - Organoboron compound - Organofluoride - Organooxygen compound - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as fluorobenzenes. These are compounds containing one or more fluorine atoms 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

• Índice de refracción: 1.45
• Punto de inflamación (°C): 126 °C
• Peso molecular: 258.050 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 258.104 Da
• Monoisotopic Mass: 258.104 Da
• Topological Polar Surface Area: 18.500 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 296.000
• 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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