3-Hexyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiophene - ≥97% , CAS No.850881-09-3

CAS: 850881-09-3 Cat. No.: H157311 Peso molecular: 294.26

GRADE & PURITY ≥97%

Synonyms

2-(3-Hexylthiophen-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane | 3-Hexyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiophene | 2-(3-Hexyl-2-thienyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane | 3-Hexylthiophene-2-boronic acid pinacol ester

Storage

Argon charged,Room temperature

Shipped In

Normal

Descripción general

Reagent used for
Suzuki-Miyaura cross-coupling reactionsp-type/n-type switching of ambipolar bithiazole-benzothiadiazole-based polymers in solar cells
Hierarchical self-assembly of semiconductor functionalized peptide a-helixes and optoelectronic properties
Reagent used in Preparation of
Photovoltaic materials, polymers, and thiophene-based compounds with photophysical, electrochemical, and fluorescent properties
Polymer solar cells for Low band gap poly(1,4-arylene-2,5-thienylene)s with benzothiadiazole units
Dithienothiophene-based dyes for dye-sensitized solar cells

Specifications

Sinónimos

2-(3-Hexylthiophen-2-yl)-4, 4, 5, 5-tetramethyl-1, 3, 2-dioxaborolane | 3-Hexyl-2-(4, 4, 5, 5-tetramethyl-1, 3, 2-dioxaborolan-2-yl)thiophene | 2-(3-Hexyl-2-thienyl)-4, 4, 5, 5-tetramethyl-1, 3, 2-dioxaborolane | 3-Hexylthiophene-2-boronic acid pinacol ester

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Argon charged, Room temperature

Enviado en

Normal

Pureza

≥97%

Nombres e identificadores

• Pubchem Sid: 488199395
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488199395
• Sonrisas canónicas: B1(OC(C(O1)(C)C)(C)C)C2=C(C=CS2)CCCCCC
• IUPAC Name: 2-(3-hexylthiophen-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
• InChIKey: XCXAUPBHQCCWCI-UHFFFAOYSA-N
• INCHI: 1S/C16H27BO2S/c1-6-7-8-9-10-13-11-12-20-14(13)17-18-15(2,3)16(4,5)19-17/h11-12H,6-10H2,1-5H3
• Isómeros SMILES: B1(OC(C(O1)(C)C)(C)C)C2=C(C=CS2)CCCCCC
• WGK Alemania: 3
• Peso molecular: 294.26
• Reaxy-Rn: 10172756
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=10172756&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Clase: Boronic acid derivatives
• Subclass: Boronic acid esters
• Intermediate Tree Nodes: Not available
• Direct Parent: Boronic acid esters
• Alternative Parents: Thiophenes Heteroaromatic compounds Dioxaborolanes Oxacyclic compounds Organic metalloid salts Organooxygen compounds Organoboron compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Heteroaromatic compound - Thiophene - 1,3,2-dioxaborolane - Boronic acid ester - Oxacycle - Organic metalloid salt - Organoheterocyclic compound - Organic oxygen compound - Hydrocarbon derivative - Organic salt - Organooxygen compound - Organoboron compound - Aromatic heteromonocyclic compound
• Descripción: 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

Propiedades químicas y físicas

• Sensibilidad: air sensitive
• Índice de refracción: 1.49
• Punto de inflamación (°F): >230 °F
• Punto de inflamación (°C): >110 °C
• Peso molecular: 294.300 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 294.182 Da
• Monoisotopic Mass: 294.182 Da
• Topological Polar Surface Area: 46.700 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 304.000
• 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