9-Borabicyclo[3.3.1]nonane dimer - Reagent grade , CAS No.21205-91-4

CAS: 21205-91-4 Cat. No.: B488469 Molecular Weight: 242.02 EC Number: 629-228-4

GRADE & PURITY Reagent Grade

Synonyms

F17442 | MFCD00168069 | 9-Bbn dimer | DTXSID60462342 | Bis-9-borabicyclo[3.3.1]nonane | 9,9'-Bi-9-borabicyclo[3.3.1]nonane | IYDIZBOKVLHCQZ-UHFFFAOYSA-N | 9-Borabicyclo[3.3.1]nonane dimer | WAA20591 | AKOS015916583 | 9-BBN Dimer (Technical Grade) | 9-(9-b

Storage

Argon charged,Room temperature

Shipped In

Normal

Overview

Description

Employed in the hydroboration of alkynes, nitriles, and ketones.Reagent found to reduce peroxo esters to alcohols without concomitant reduction of the peroxo linkage.Air-stable, crystalline reagent used to reductively cleave cyclic acetals and ketals to monobenzylated 1,2-diols.

Specifications

Synonyms

F17442 | MFCD00168069 | 9-Bbn dimer | DTXSID60462342 | Bis-9-borabicyclo[3.3.1]nonane | 9, 9'-Bi-9-borabicyclo[3.3.1]nonane | IYDIZBOKVLHCQZ-UHFFFAOYSA-N | 9-Borabicyclo[3.3.1]nonane dimer | WAA20591 | AKOS015916583 | 9-BBN Dimer (Technical Grade) | 9-(9-b

Specifications & Purity

Reagent grade

Storage

Argon charged, Room temperature

Shipped In

Normal

Grade

Reagent Grade

Names and Identifiers

• Canonical Smiles: B1(C2CCCC1CCC2)B3C4CCCC3CCC4
• IUPAC Name: 9-(9-borabicyclo[3.3.1]nonan-9-yl)-9-borabicyclo[3.3.1]nonane
• InChIKey: IYDIZBOKVLHCQZ-UHFFFAOYSA-N
• INCHI: 1S/C16H28B2/c1-5-13-7-2-8-14(6-1)17(13)18-15-9-3-10-16(18)12-4-11-15/h13-16H,1-12H2
• Isomeric SMILES: B1(C2CCCC1CCC2)B3C4CCCC3CCC4
• Molecular Weight: 242.02
• Reaxy-Rn: 8431372
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8431372&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Metalloheterocyclic compounds
      • Subclass Borinanes

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Metalloheterocyclic compounds
• Subclass: Borinanes
• Intermediate Tree Nodes: Not available
• Direct Parent: Borinanes
• Alternative Parents: Organic metalloid salts Dialkylboranes Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteropolycyclic compounds
• Substituents: Borinane - Dialkylborane - Organic metalloid salt - Alkylborane - Hydrocarbon derivative - Organic metalloid moeity - Aliphatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as borinanes. These are organic heterocyclic compounds containing a saturated aliphatic six-membered ring consisting of five carbon atoms and one boron atom.
• 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

Chemical and Physical Properties

• Sensitivity: Moisture sensitive
• Melt Point(°C): 149-154° (lit.)
• Molecular Weight: 242.000 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 242.238 Da
• Monoisotopic Mass: 242.238 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 229.000
• 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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