Bis(catecholato)diboron - ≥97% , CAS No.13826-27-2

CAS: 13826-27-2 Cat. No.: B153040 分子式: C₁₂H₈B₂O₄ 分子量: 237.81 EC番号: 691-473-8

GRADE & PURITY ≥97%

Synonyms

AS-15219 | C12H8B2O4 | SCHEMBL3889220 | AKOS015968999 | 2-(6,7-dihydro-1,3,2-benzodioxaborol-2-yl)-1,3,2-benzodioxaborole;Bis(catecholato)diborane | DTXSID40392951 | AMY979 | 2-(2H-1,3,2-benzodioxaborol-2-yl)-2H-1,3,2-benzodioxaborole | J-400816 | 2,2 inv

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

同義語

AS-15219 | C12H8B2O4 | SCHEMBL3889220 | AKOS015968999 | 2-(6,7-dihydro-1,3,2-benzodioxaborol-2-yl)-1,3,2-benzodioxaborole;Bis(catecholato)diborane | DTXSID40392951 | AMY979 | 2-(2H-1,3,2-benzodioxaborol-2-yl)-2H-1,3,2-benzodioxaborole | J-400816 | 2,2 inv

仕様と純度

≥97%

保管条件

Argon charged,Room temperature

入荷

Normal

純度

≥97%

名前と識別子

• パブケム・シド: 488194421
• パブケム・シド・ウル: https://pubchem.ncbi.nlm.nih.gov/substance/488194421
• カノニカル・スマイル: B1(OC2=CC=CC=C2O1)B3OC4=CC=CC=C4O3
• IUPAC Name: 2-(1,3,2-benzodioxaborol-2-yl)-1,3,2-benzodioxaborole
• InChIKey: WYBQOWXCLDXZNR-UHFFFAOYSA-N
• INCHI: 1S/C12H8B2O4/c1-2-6-10-9(5-1)15-13(16-10)14-17-11-7-3-4-8-12(11)18-14/h1-8H
• 異性体SMILES: B1(OC2=CC=CC=C2O1)B3OC4=CC=CC=C4O3
• WGKドイツ: 3
• 分子量: 237.81
• Reaxy-Rn: 2056214
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2056214&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 分類: Not available
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzenoids
• Alternative Parents: Oxacyclic compounds Organic metalloid salts Organooxygen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Benzenoid - Oxacycle - Organic metalloid salt - Organoheterocyclic compound - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aromatic heteropolycyclic compound
• 説明: This compound belongs to the class of organic compounds known as benzenoids. These are aromatic compounds containing one or more benzene rings.
• 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

化学的性質と物理的性質

• 感度: Moisture sensitive;Air sensitive
• 融点（°C）: 189-196°C
• 分子量: 237.800 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 238.061 Da
• Monoisotopic Mass: 238.061 Da
• Topological Polar Surface Area: 36.900 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 258.000
• 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

よくある質問

What is the purity of this product?

This product is supplied at ≥97% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

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

The CAS Number is 13826-27-2, the molecular formula is C12H8B2O4, and the molecular weight is 237.81 g/mol. InChIKey WYBQOWXCLDXZNR-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.