Tetraacetoxy diboroxane - ≥97% , CAS No.5187-37-1

CAS: 5187-37-1 Cat. No.: T469303 Summenformel: C₈H₁₂B₂O₉ Molekulargewicht: 273.8 PubChem CID: 5326258

GRADE & PURITY ≥97%

Synonyms

DTXSID80416100 | SCHEMBL9452576 | Tetraacetoxy diboroxane | Tetraacetyl diborate | Tetraacetoxy diboroxane, 97% | [acetyloxy(diacetyloxyboranyloxy)boranyl] acetate | InChI=1/C8H12B2O9/c1-5(11)15-9(16-6(2)12)19-10(17-7(3)13)18-8(4)14/h1-4H

Storage

Room temperature

Specifications

Synonyme

DTXSID80416100 | SCHEMBL9452576 | Tetraacetoxy diboroxane | Tetraacetyl diborate | Tetraacetoxy diboroxane, 97% | [acetyloxy(diacetyloxyboranyloxy)boranyl] acetate | InChI=1/C8H12B2O9/c1-5(11)15-9(16-6(2)12)19-10(17-7(3)13)18-8(4)14/h1-4H

Spezifikationen & Reinheit

≥97%

Storage

Room temperature

Reinheit

≥97%

Namen und Kennungen

• Kanonisches Lächeln: B(OB(OC(=O)C)OC(=O)C)(OC(=O)C)OC(=O)C
• IUPAC Name: [acetyloxy(diacetyloxyboranyloxy)boranyl] acetate
• InChIKey: ZMJHYNIVOZEJTJ-UHFFFAOYSA-N
• INCHI: 1S/C8H12B2O9/c1-5(11)15-9(16-6(2)12)19-10(17-7(3)13)18-8(4)14/h1-4H3
• Isomere SMILES: B(OB(OC(=O)C)OC(=O)C)(OC(=O)C)OC(=O)C
• PubChem CID: 5326258
• Molekulargewicht: 273.8

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Klasse Carboxylic acids and derivatives
      • Subclass Tetracarboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Klasse: Carboxylic acids and derivatives
• Subclass: Tetracarboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Tetracarboxylic acids and derivatives
• Alternative Parents: Acetate salts Organic metalloid salts Organic oxoanionic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Tetracarboxylic acid or derivatives - Acetate salt - Organic borate - Carboxylic acid salt - Organic metalloid salt - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organic salt - Organooxygen compound - Carbonyl group - Aliphatic acyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as tetracarboxylic acids and derivatives. These are carboxylic acids containing exactly four carboxyl groups.
• 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

• Flammpunkt (°F): Not applicable
• Flammpunkt (°C): Not applicable
• Schmelzpunkt (°C): 147-150℃
• Molekulargewicht: 273.800 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 10
• Exact Mass: 274.067 Da
• Monoisotopic Mass: 274.067 Da
• Topological Polar Surface Area: 114.000 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 303.000
• 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

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.

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

The CAS Number is 5187-37-1, the molecular formula is C8H12B2O9, and the molecular weight is 273.8 g/mol. InChIKey ZMJHYNIVOZEJTJ-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.