5-Bromo-5'-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,2'-bithiophene - ≥97%(GC) , CAS No.578715-23-8

CAS: 578715-23-8 Cat. No.: B152931 Peso molecular: 371.11

GRADE & PURITY ≥97%(GC)

Synonyms

578715-23-8|2-(5'-Bromo-[2,2'-bithiophen]-5-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane|5-Bromo-5'-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,2'-bithiophene|5'-Bromo-2,2'-bithiophene-5-boronic Acid Pinacol Ester|2-[5-(5-bromothiophen-2-yl)thiophen-2-

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

578715-23-8 | 2-(5'-Bromo-[2, 2'-bithiophen]-5-yl)-4, 4, 5, 5-tetramethyl-1, 3, 2-dioxaborolane | 5-Bromo-5'-(4, 4, 5, 5-tetramethyl-1, 3, 2-dioxaborolan-2-yl)-2, 2'-bithiophene | 5'-Bromo-2, 2'-bithiophene-5-boronic Acid Pinacol Ester | 2-[5-(5-bromothiophen-2-yl)thiophen-2-

Especificaciones y pureza

≥97%(GC)

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥97%(GC)

Nombres e identificadores

• Sonrisas canónicas: B1(OC(C(O1)(C)C)(C)C)C2=CC=C(S2)C3=CC=C(S3)Br
• IUPAC Name: 2-[5-(5-bromothiophen-2-yl)thiophen-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
• InChIKey: DMYHZCIVESITOD-UHFFFAOYSA-N
• INCHI: 1S/C14H16BBrO2S2/c1-13(2)14(3,4)18-15(17-13)11-7-5-9(19-11)10-6-8-12(16)20-10/h5-8H,1-4H3
• Isómeros SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CC=C(S2)C3=CC=C(S3)Br
• Peso molecular: 371.11
• Reaxy-Rn: 9636785
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=9636785&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Bi- and oligothiophenes

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Bi- and oligothiophenes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Bi- and oligothiophenes
• Alternative Parents: 2,5-disubstituted thiophenes Aryl bromides Heteroaromatic compounds Dioxaborolanes Boronic acid esters Oxacyclic compounds Organic metalloid salts Organooxygen compounds Organometalloid compounds Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Bithiophene - 2,5-disubstituted thiophene - Aryl bromide - Aryl halide - Heteroaromatic compound - Thiophene - Boronic acid ester - 1,3,2-dioxaborolane - Boronic acid derivative - Oxacycle - Organic metalloid salt - Organobromide - Organooxygen compound - Organic oxygen compound - Hydrocarbon derivative - Organohalogen compound - Organic metalloid moeity - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as bi- and oligothiophenes. These are organic compounds containing two or more linked thiophene rings. Thiophene is a five-member aromatic ring with one sulfur and four carbon atoms.
• 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

• Peso molecular: 371.100 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 369.987 Da
• Monoisotopic Mass: 369.987 Da
• Topological Polar Surface Area: 74.900 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 364.000
• 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