Benzopinacol - ≥95% , CAS No.464-72-2

CAS: 464-72-2 Cat. No.: B153219 Peso molecular: 366.46 Beilstein Registry Number: 2061950 Número EC: 207-356-8

GRADE & PURITY ≥95%

Synonyms

1, 1,1,2,2-tetraphenyl- | Oprea1_328770 | AKOS005067843 | 4VNT36L0QZ | 1,2,2-Tetraphenyl-1,2-ethanediol | 2-[5-ethyl-2-(2,3,5,6-tetrafluoroanilino)phenyl]acetic acid | Benzpinacone | InChI=1/C26H22O2/c27-25(21-13-5-1-6-14-21,22-15-7-2-8-16-22)26(28,23-17-

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Descripción general

Application

1,1,2,2-Tetraphenyl-1,2-ethanediol (TPED) is used as an active component of the initiation system in free radical polymerization.

It is used as a precursor to prepare 1-hydroxy-2-(p-tolylaminocarbonyloxy)-1,1,2,2-tetraphenylethane (HTTPE), a thermal iniferter for radical polymerization.

TPED can also be used as a protecting group for the boronic acids by converting them to stable boronic esters.

Specifications

Sinónimos

1, 1, 1, 2, 2-tetraphenyl- | Oprea1_328770 | AKOS005067843 | 4VNT36L0QZ | 1, 2, 2-Tetraphenyl-1, 2-ethanediol | 2-[5-ethyl-2-(2, 3, 5, 6-tetrafluoroanilino)phenyl]acetic acid | Benzpinacone | InChI=1/C26H22O2/c27-25(21-13-5-1-6-14-21, 22-15-7-2-8-16-22)26(28, 23-17-

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Store at -20°C, Argon charged

Enviado en

Ice chest + Ice pads

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

Pureza

≥95%

Nombres e identificadores

• Sonrisas canónicas: C1=CC=C(C=C1)C(C2=CC=CC=C2)(C(C3=CC=CC=C3)(C4=CC=CC=C4)O)O
• IUPAC Name: 1,1,2,2-tetraphenylethane-1,2-diol
• InChIKey: MFEWNFVBWPABCX-UHFFFAOYSA-N
• INCHI: 1S/C26H22O2/c27-25(21-13-5-1-6-14-21,22-15-7-2-8-16-22)26(28,23-17-9-3-10-18-23)24-19-11-4-12-20-24/h1-20,27-28H
• Isómeros SMILES: C1=CC=C(C=C1)C(C2=CC=CC=C2)(C(C3=CC=CC=C3)(C4=CC=CC=C4)O)O
• WGK Alemania: 2
• RTECS: KI2750000
• Peso molecular: 366.46
• Beilstein: 2061950
• Reaxy-Rn: 2061947
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2061947&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • Clase Stilbenes

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Clase: Stilbenes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Stilbenes
• Alternative Parents: Diphenylmethanes Tertiary alcohols 1,2-diols Hydrocarbon derivatives Aromatic alcohols
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Stilbene - Diphenylmethane - Benzenoid - Monocyclic benzene moiety - Tertiary alcohol - 1,2-diol - Organic oxygen compound - Hydrocarbon derivative - Aromatic alcohol - Organooxygen compound - Alcohol - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as stilbenes. These are organic compounds containing a 1,2-diphenylethylene moiety. Stilbenes (C6-C2-C6 ) are derived from the common phenylpropene (C6-C3) skeleton building block. The introduction of one or more hydroxyl groups to a phenyl ring lead to stilbenoids.
• 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: It is soluble in ethanol, ether, acetone insoluble in carbon disulfide and water.
• Punto de fusión (°C): 181 °C
• Peso molecular: 366.400 g/mol
• XLogP3: 4.900
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 366.162 Da
• Monoisotopic Mass: 366.162 Da
• Topological Polar Surface Area: 40.500 Ų
• Heavy Atom Count: 28
• Formal Charge: 0
• Complexity: 383.000
• 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