1,4-Benzenediboronic Acid Bis(neopentyl Glycol) Ester - ≥98% , CAS No.5565-36-6

CAS: 5565-36-6 Cat. No.: B405421 Peso molecular: 301.98

GRADE & PURITY ≥98%

Synonyms

1,4-Benzenediboronic acid bis(neopentyl glycol) ester | D95314 | FT-0606764 | HEPTALDEHYDESODIUMBISULFITE | MFCD01075726 | AKOS004115036 | 1,4-Benzenediboronic acid bisneopentylglycol cyclic ester | 1,4-Bis(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)benzene | A

Storage

Store at 2-8°C,Protected from light

Shipped In

Wet ice

Specifications

Sinónimos

1, 4-Benzenediboronic acid bis(neopentyl glycol) ester | D95314 | FT-0606764 | HEPTALDEHYDESODIUMBISULFITE | MFCD01075726 | AKOS004115036 | 1, 4-Benzenediboronic acid bisneopentylglycol cyclic ester | 1, 4-Bis(5, 5-dimethyl-1, 3, 2-dioxaborinan-2-yl)benzene | A

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Protected from light

Enviado en

Wet ice

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

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 488200266
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488200266
• Sonrisas canónicas: B1(OCC(CO1)(C)C)C2=CC=C(C=C2)B3OCC(CO3)(C)C
• IUPAC Name: 2-[4-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)phenyl]-5,5-dimethyl-1,3,2-dioxaborinane
• InChIKey: XDODHEZHZCJSML-UHFFFAOYSA-N
• INCHI: 1S/C16H24B2O4/c1-15(2)9-19-17(20-10-15)13-5-7-14(8-6-13)18-21-11-16(3,4)12-22-18/h5-8H,9-12H2,1-4H3
• Isómeros SMILES: B1(OCC(CO1)(C)C)C2=CC=C(C=C2)B3OCC(CO3)(C)C
• Peso molecular: 301.98
• Reaxy-Rn: 2946720
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2946720&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzene and substituted derivatives
• Alternative Parents: Boronic acid esters Oxacyclic compounds Organic metalloid salts Organooxygen compounds Organometalloid compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Monocyclic benzene moiety - Boronic acid ester - Boronic acid derivative - Oxacycle - Organic metalloid salt - Organoheterocyclic compound - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Organic metalloid moeity - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as benzene and substituted derivatives. These are aromatic compounds containing one monocyclic ring system consisting of benzene.
• 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

• Sensibilidad: light sensitive
• Punto de fusión (°C): 235 °C
• Peso molecular: 302.000 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 302.186 Da
• Monoisotopic Mass: 302.186 Da
• Topological Polar Surface Area: 36.900 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 324.000
• 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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