2-(2,3-Dihydro-1H-inden-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane - ≥95% , CAS No.1252793-57-9

CAS: 1252793-57-9 Cat. No.: D586786 Peso molecular: 244.14 Número EC: 827-861-2

GRADE & PURITY ≥95%

Synonyms

(2,3-Dihydro-1H-inden-4-yl)boronic acid pinacol ester | 2-(2,3-dihydro-1H-inden-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane | MFCD18383480 | AS-76632 | SCHEMBL12667047 | SY209162 | Z2049763600 | CAC79357 | 4-Indaneboronic Acid Pinacol Ester | Y10148 | E

Storage

Store at 2-8°C,Desiccated

Shipped In

Wet ice

Specifications

Sinónimos

(2, 3-Dihydro-1H-inden-4-yl)boronic acid pinacol ester | 2-(2, 3-dihydro-1H-inden-4-yl)-4, 4, 5, 5-tetramethyl-1, 3, 2-dioxaborolane | MFCD18383480 | AS-76632 | SCHEMBL12667047 | SY209162 | Z2049763600 | CAC79357 | 4-Indaneboronic Acid Pinacol Ester | Y10148 | E

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Desiccated

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥95%

Nombres e identificadores

• Sonrisas canónicas: B1(OC(C(O1)(C)C)(C)C)C2=C3CCCC3=CC=C2
• IUPAC Name: 2-(2,3-dihydro-1H-inden-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
• InChIKey: DYTLGZWBDATBAZ-UHFFFAOYSA-N
• INCHI: 1S/C15H21BO2/c1-14(2)15(3,4)18-16(17-14)13-10-6-8-11-7-5-9-12(11)13/h6,8,10H,5,7,9H2,1-4H3
• Isómeros SMILES: B1(OC(C(O1)(C)C)(C)C)C2=C3CCCC3=CC=C2
• Peso molecular: 244.14
• Reaxy-Rn: 20707397
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=20707397&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Indanes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Indanes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Indanes
• Alternative Parents: Dioxaborolanes Boronic acid esters Oxacyclic compounds Organic metalloid salts Organooxygen compounds Organoboron compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Indane - 1,3,2-dioxaborolane - Boronic acid ester - Boronic acid derivative - Oxacycle - Organic metalloid salt - Organoheterocyclic compound - Organic oxygen compound - Hydrocarbon derivative - Organic salt - Organooxygen compound - Organoboron compound - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as indanes. These are compounds containing an indane moiety, which consists of a cyclopentane fused to a benzene ring.
• 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: 244.140 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 244.163 Da
• Monoisotopic Mass: 244.163 Da
• Topological Polar Surface Area: 18.500 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 310.000
• 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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