(Ester pinacol del ácido 4-metilfenilborónico)bromuro de trifenilfosfonio - ≥95% , CAS No.1169942-85-1

CAS: 1169942-85-1 Cat. No.: M166191 Peso molecular: 559.28 Número EC: 693-830-3 PubChem CID: 71306525

GRADE & PURITY ≥95%

Synonyms

AKOS025392303 | SCHEMBL15481276 | bromotriphenyl(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzyl)phosphorane | 1169942-85-1 | (4-Methylphenylboronic acid pinacol ester)triphenylphosphonium bromide | Bromotriphenyl(4-(4,4,5,5-tetramethyl-1,3,2-dioxab

Storage

Temperatura ambiente

Shipped In

Normal

Specifications

Sinónimos

AKOS025392303 | SCHEMBL15481276 | bromotriphenyl(4-(4, 4, 5, 5-tetramethyl-1, 3, 2-dioxaborolan-2-yl)benzyl)phosphorane | 1169942-85-1 | (4-Methylphenylboronic acid pinacol ester)triphenylphosphonium bromide | Bromotriphenyl(4-(4, 4, 5, 5-tetramethyl-1, 3, 2-dioxab

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Temperatura ambiente

Enviado en

Normal

Pureza

≥95%

Nombres e identificadores

• Pubchem Sid: 488202185
• Sonrisas canónicas: B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)CP(C3=CC=CC=C3)(C4=CC=CC=C4)(C5=CC=CC=C5)Br
• IUPAC Name: bromo-triphenyl-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]-λ5-phosphane
• InChIKey: QFKBJKZUBNWCIZ-UHFFFAOYSA-N
• INCHI: 1S/C31H33BBrO2P/c1-30(2)31(3,4)35-32(34-30)26-22-20-25(21-23-26)24-36(33,27-14-8-5-9-15-27,28-16-10-6-11-17-28)29-18-12-7-13-19-29/h5-23H,24H2,1-4H3
• Isómeros SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)CP(C3=CC=CC=C3)(C4=CC=CC=C4)(C5=CC=CC=C5)Br
• WGK Alemania: 3
• PubChem CID: 71306525
• Peso molecular: 559.28

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Phenylphosphines and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylphosphines and derivatives
• Alternative Parents: Dioxaborolanes Boronic acid esters Oxacyclic compounds Organic metalloid salts Organophosphorus compounds Organooxygen compounds Organometalloid compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Triphenylphosphine - Phenylphosphine - 1,3,2-dioxaborolane - Boronic acid ester - Boronic acid derivative - Oxacycle - Organic metalloid salt - Organoheterocyclic compound - Organic oxygen compound - Hydrocarbon derivative - Organophosphorus compound - Organooxygen compound - Organic metalloid moeity - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as phenylphosphines and derivatives. These are compounds containing a phenylphosphine, which consists of phosphine substituent bound to a phenyl 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): 265-270°C
• Peso molecular: 559.300 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 6
• Exact Mass: 558.149 Da
• Monoisotopic Mass: 558.149 Da
• Topological Polar Surface Area: 18.500 Ų
• Heavy Atom Count: 36
• Formal Charge: 0
• Complexity: 667.000
• 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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