2-(2,5-Dibromothiophen-3-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane - ≥97% , CAS No.942070-22-6

CAS: 942070-22-6 Cat. No.: D195969 Peso molecular: 367.89

GRADE & PURITY ≥97%

Synonyms

MFCD12405469 | AMY22022 | AKOS016006564 | FT-0749353 | 2,5-Dibromothiophene-3-boronic acid pinacol ester | C10H13BBr2O2S | F30017 | DTXSID60700014 | (2,5-DIBROMOTHIOPHEN-3-YL)BORONIC ACID PINACOL ESTER | 2-(2,5-dibromo-3-thienyl)-4,4,5,5-tetramethyl-1,3,2

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

MFCD12405469 | AMY22022 | AKOS016006564 | FT-0749353 | 2, 5-Dibromothiophene-3-boronic acid pinacol ester | C10H13BBr2O2S | F30017 | DTXSID60700014 | (2, 5-DIBROMOTHIOPHEN-3-YL)BORONIC ACID PINACOL ESTER | 2-(2, 5-dibromo-3-thienyl)-4, 4, 5, 5-tetramethyl-1, 3, 2

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥97%

Nombres e identificadores

• Sonrisas canónicas: B1(OC(C(O1)(C)C)(C)C)C2=C(SC(=C2)Br)Br
• IUPAC Name: 2-(2,5-dibromothiophen-3-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
• InChIKey: FBVYFWMGZNOTBO-UHFFFAOYSA-N
• INCHI: 1S/C10H13BBr2O2S/c1-9(2)10(3,4)15-11(14-9)6-5-7(12)16-8(6)13/h5H,1-4H3
• Isómeros SMILES: B1(OC(C(O1)(C)C)(C)C)C2=C(SC(=C2)Br)Br
• Peso molecular: 367.89
• Reaxy-Rn: 18553527
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=18553527&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Thiophenes
      • Subclass 2,3,5-trisubstituted thiophenes

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Thiophenes
• Subclass: 2,3,5-trisubstituted thiophenes
• Intermediate Tree Nodes: Not available
• Direct Parent: 2,3,5-trisubstituted thiophenes
• Alternative Parents: 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: 2,3,5-trisubstituted thiophene - Aryl bromide - Aryl halide - Heteroaromatic compound - Boronic acid ester - 1,3,2-dioxaborolane - Boronic acid derivative - Oxacycle - Organic metalloid salt - Organohalogen compound - Organooxygen compound - Organic oxygen compound - Hydrocarbon derivative - Organic metalloid moeity - Organobromide - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as 2,3,5-trisubstituted thiophenes. These are organic compounds containing a thiophene that is trisubstituted at the C-2, C3- and C5-positions.
• 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: 367.900 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 367.908 Da
• Monoisotopic Mass: 365.91 Da
• Topological Polar Surface Area: 46.700 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 272.000
• 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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