B-Iodo-9-BBN solution - 1.0M in hexanes , CAS No.70145-42-5

CAS: 70145-42-5 Cat. No.: B466125 Summenformel: C₈H₁₄BI Molekulargewicht: 247.91

GRADE & PURITY 1.0M in hexanes

Synonyms

SCHEMBL935249 | AKOS015916749 | B-Iodo-9-BBN | MFCD24390180 | SY312581 | 9-Iodo-9-borabicyclo[3.3.1]nonane | 9-Iodo-9-borabicyclo[3.3.1]nonane # | 9-Borabicyclo[3.3.1]nonane, 9-iodo- | DTXSID40342057

Storage

Room temperature

Specifications

Synonyme

SCHEMBL935249 | AKOS015916749 | B-Iodo-9-BBN | MFCD24390180 | SY312581 | 9-Iodo-9-borabicyclo[3.3.1]nonane | 9-Iodo-9-borabicyclo[3.3.1]nonane # | 9-Borabicyclo[3.3.1]nonane, 9-iodo- | DTXSID40342057

Spezifikationen & Reinheit

1.0M in hexanes

Storage

Room temperature

Namen und Kennungen

• Kanonisches Lächeln: B1(C2CCCC1CCC2)I
• IUPAC Name: 9-iodo-9-borabicyclo[3.3.1]nonane
• InChIKey: YAYIUFDUYUYPJC-UHFFFAOYSA-N
• INCHI: 1S/C8H14BI/c10-9-7-3-1-4-8(9)6-2-5-7/h7-8H,1-6H2
• Isomere SMILES: B1(C2CCCC1CCC2)I
• WGK Deutschland: 3
• UN-Nummer: 2924
• Verpackungsgruppe: II
• Molekulargewicht: 247.91
• Reaxy-Rn: 969657
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=969657&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: Metalloheterocyclic compounds
• Subclass: Borinanes
• Intermediate Tree Nodes: Not available
• Direct Parent: Borinanes
• Alternative Parents: Alkylhaloboranes Organic metalloid salts Dialkylboranes Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteropolycyclic compounds
• Substituents: Borinane - Alkylhaloborane - Dialkylborane - Organic metalloid salt - Alkylborane - Hydrocarbon derivative - Organic salt - Organoboron compound - Aliphatic heteropolycyclic compound
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• Brechungsindex: n20D1.53 (Predicted)
• Siedepunkt (°C): 68° C
• Molekulargewicht: 247.910 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 248.023 Da
• Monoisotopic Mass: 248.023 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 104.000
• 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

Häufig gestellte Fragen

How should this product be stored?

Store at room temperature.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 70145-42-5, the molecular formula is C8H14BI, and the molecular weight is 247.91 g/mol. InChIKey YAYIUFDUYUYPJC-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.