Hexylboronic acid pinacol ester - ≥97% , CAS No.86308-26-1

CAS: 86308-26-1 Cat. No.: H331845 Fórmula: C₁₂H₂₅BO₂ Peso molecular: 212.14

GRADE & PURITY ≥97%

Synonyms

1,3,2-Dioxaborolane, 2-hexyl-4,4,5,5-tetramethyl- | 2-Hexyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane | DTXSID50448433 | Hexylboronic acid pinacol ester | SCHEMBL15928015 | AKOS028111967 | BS-51462 | E76883 | Hexylboronic acid pinacol ester, 97% | MFCD08457

Storage

Room temperature,Argon charged

Shipped In

Normal

Specifications

Sinónimos

1,3,2-Dioxaborolane, 2-hexyl-4,4,5,5-tetramethyl- | 2-Hexyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane | DTXSID50448433 | Hexylboronic acid pinacol ester | SCHEMBL15928015 | AKOS028111967 | BS-51462 | E76883 | Hexylboronic acid pinacol ester, 97% | MFCD08457

Especificações e pureza

≥97%

Condições de armazenamento de armazenamento

Room temperature,Argon charged

Enviado em

Normal

Pureza

≥97%

Nomes e identificadores

Pubchem Sid

488196935

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488196935

Sorrisos canónicos

B1(OC(C(O1)(C)C)(C)C)CCCCCC

IUPAC Name

2-hexyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

InChIKey

LDPMCSWZEGKWLC-UHFFFAOYSA-N

INCHI

1S/C12H25BO2/c1-6-7-8-9-10-13-14-11(2,3)12(4,5)15-13/h6-10H2,1-5H3

SMILES isoméricas

B1(OC(C(O1)(C)C)(C)C)CCCCCC

WGK Alemanha

3

Peso molecular

212.14

Reaxy-Rn

9259969

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=9259969&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Classe Boronic acid derivatives
      • Subclass Boronic acid esters

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Classe: Boronic acid derivatives
• Subclass: Boronic acid esters
• Intermediate Tree Nodes: Not available
• Direct Parent: Boronic acid esters
• Alternative Parents: Dioxaborolanes Oxacyclic compounds Organic metalloid salts Organooxygen compounds Monoalkylboranes Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: 1,3,2-dioxaborolane - Boronic acid ester - Oxacycle - Organic metalloid salt - Organoheterocyclic compound - Organic oxygen compound - Monoalkylborane - Alkylborane - Hydrocarbon derivative - Organooxygen compound - Organic metalloid moeity - Aliphatic heteromonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as boronic acid esters. These are compounds comprising the boronic acid ester functional group RN(X)OR' (R,R'=alkyl, aryl; X= any O, N, Hal residue).
• 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

Propriedades químicas e físicas

• Sensibilidade: Moisture sensitive
• Índice de refração: 1.426
• Ponto de inflamação (°F): 183.2 °F
• Ponto de inflamação (°C): 84 °C
• Ponto de ebulição (°C): ~238.1° C at 760 mmHg (Predicted)
• Peso molecular: 212.140 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 212.195 Da
• Monoisotopic Mass: 212.195 Da
• Topological Polar Surface Area: 18.500 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 186.000
• 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

XLogP3

Perguntas frequentes

What is the purity of this product?

This product is supplied at ≥97% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 86308-26-1, the molecular formula is C12H25BO2, and the molecular weight is 212.14 g/mol. InChIKey LDPMCSWZEGKWLC-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.