Perfluorophenylboronic acid, pinacol ester - ≥96% , CAS No.325142-81-2

CAS: 325142-81-2 Cat. No.: P183702 Formule: C₁₂H₁₂BF₅O₂ Poids moléculaire: 294 PubChem CID: 23065713

GRADE & PURITY ≥96%

Synonyms

SCHEMBL184229 | Perfluorophenylboronic acid,pinacol ester | 4,4,5,5-TETRAMETHYL-2-(PERFLUOROPHENYL)-1,3,2-DIOXABOROLANE | AKOS016000991 | DTXSID00630164 | MB11848 | PERFLUOROPHENYLBORONIC ACID, PINACOL ESTER | Perfluorophenylbornic acid, pinacol ester | 4

Storage

Room temperature

Shipped In

Normal

Specifications

Synonymes

SCHEMBL184229 | Perfluorophenylboronic acid,pinacol ester | 4,4,5,5-TETRAMETHYL-2-(PERFLUOROPHENYL)-1,3,2-DIOXABOROLANE | AKOS016000991 | DTXSID00630164 | MB11848 | PERFLUOROPHENYLBORONIC ACID, PINACOL ESTER | Perfluorophenylbornic acid, pinacol ester | 4

Spécifications et pureté

≥96%

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Pureté

≥96%

Noms et identifiants

Sourires canoniques

B1(OC(C(O1)(C)C)(C)C)C2=C(C(=C(C(=C2F)F)F)F)F

IUPAC Name

4,4,5,5-tetramethyl-2-(2,3,4,5,6-pentafluorophenyl)-1,3,2-dioxaborolane

InChIKey

FTJVUPKSBLYGSY-UHFFFAOYSA-N

INCHI

1S/C12H12BF5O2/c1-11(2)12(3,4)20-13(19-11)5-6(14)8(16)10(18)9(17)7(5)15/h1-4H3

Isomères SMILES

B1(OC(C(O1)(C)C)(C)C)C2=C(C(=C(C(=C2F)F)F)F)F

PubChem CID

23065713

Poids moléculaire

294

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: 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 Organometalloid compounds Organofluorides 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 - Organooxygen compound - Hydrocarbon derivative - Organic oxygen compound - Organohalogen compound - Organic metalloid moeity - Organofluoride - Aromatic heteromonocyclic compound
• Description: 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

Propriétés chimiques et physiques

• Poids moléculaire: 294.030 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 1
• Exact Mass: 294.085 Da
• Monoisotopic Mass: 294.085 Da
• Topological Polar Surface Area: 18.500 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 349.000
• 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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