2-(2-Iodophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane - ≥95%(T) , CAS No.857934-82-8

CAS: 857934-82-8 Cat. No.: I157463 Peso molecular: 329.97 Número EC: 678-572-1

GRADE & PURITY ≥95%(T)

Synonyms

LCZC2542 | AKOS015853869 | MFCD09038529 | I0653 | DTXSID90478835 | 2-(2-Iodophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane | ZB1305 | 2-(2-iodanylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane | 1-Iodo-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benz

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

LCZC2542 | AKOS015853869 | MFCD09038529 | I0653 | DTXSID90478835 | 2-(2-Iodophenyl)-4, 4, 5, 5-tetramethyl-1, 3, 2-dioxaborolane | ZB1305 | 2-(2-iodanylphenyl)-4, 4, 5, 5-tetramethyl-1, 3, 2-dioxaborolane | 1-Iodo-2-(4, 4, 5, 5-tetramethyl-1, 3, 2-dioxaborolan-2-yl)benz

Especificaciones y pureza

≥95%(T)

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥95%(T)

Nombres e identificadores

• Pubchem Sid: 488197902
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488197902
• Sonrisas canónicas: B1(OC(C(O1)(C)C)(C)C)C2=CC=CC=C2I
• IUPAC Name: 2-(2-iodophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
• InChIKey: HSQZIRZPACYGJJ-UHFFFAOYSA-N
• INCHI: 1S/C12H16BIO2/c1-11(2)12(3,4)16-13(15-11)9-7-5-6-8-10(9)14/h5-8H,1-4H3
• Isómeros SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CC=CC=C2I
• Peso molecular: 329.97
• Reaxy-Rn: 10341674
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=10341674&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Halobenzenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Iodobenzenes
• Alternative Parents: Aryl iodides Dioxaborolanes Boronic acid esters Oxacyclic compounds Organic metalloid salts Organooxygen compounds Organoiodides Organoboron compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Iodobenzene - Aryl halide - Aryl iodide - Boronic acid ester - 1,3,2-dioxaborolane - Boronic acid derivative - Oxacycle - Organic metalloid salt - Organoheterocyclic compound - Organohalogen compound - Organic salt - Hydrocarbon derivative - Organic oxygen compound - Organoboron compound - Organoiodide - Organooxygen compound - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as iodobenzenes. These are aromatic compounds containing one or more iodine atoms attached to a 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

• Peso molecular: 329.970 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 330.029 Da
• Monoisotopic Mass: 330.029 Da
• Topological Polar Surface Area: 18.500 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 252.000
• 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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