Tetramethylammonium Triacetoxyborohydride - ≥95%(T) , CAS No.109704-53-2

CAS: 109704-53-2 Cat. No.: T162868 Molecular Weight: 263.1 Beilstein Registry Number: 8238790 EC Number: 629-627-3 PubChem CID: 10858300

GRADE & PURITY ≥95%(T)

Synonyms

bis(acetyloxy)boranuidyl acetate; tetramethylazanium | EN300-114198 | J-002319 | Tetramethylammonium triacetoxyborohydride | HY-W021409 | AKOS015837999 | DTXSID101346573 | MFCD00012196 | FT-0721520 | tetramethylazanium;triacetyloxyboron(1-) | SCHEMBL18974

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Synonyms

bis(acetyloxy)boranuidyl acetate; tetramethylazanium | EN300-114198 | J-002319 | Tetramethylammonium triacetoxyborohydride | HY-W021409 | AKOS015837999 | DTXSID101346573 | MFCD00012196 | FT-0721520 | tetramethylazanium;triacetyloxyboron(1-) | SCHEMBL18974

Specifications & Purity

≥95%(T)

Storage

Argon charged, Room temperature

Shipped In

Normal

Purity

≥95%(T)

Names and Identifiers

• Canonical Smiles: [B-](OC(=O)C)(OC(=O)C)OC(=O)C.C[N+](C)(C)C
• InChIKey: ZWSJBUUORJFGHK-UHFFFAOYSA-N
• INCHI: 1S/C6H9BO6.C4H12N/c1-4(8)11-7(12-5(2)9)13-6(3)10;1-5(2,3)4/h1-3H3;1-4H3/q-1;+1
• Isomeric SMILES: [B-](OC(=O)C)(OC(=O)C)OC(=O)C.C[N+](C)(C)C
• WGK Germany: 3
• PubChem CID: 10858300
• Molecular Weight: 263.1
• Beilstein: 8238790
• Reaxy-Rn: 8238791

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Carboxylic acids and derivatives
      • Subclass Tricarboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Carboxylic acids and derivatives
• Subclass: Tricarboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Tricarboxylic acids and derivatives
• Alternative Parents: Acetate salts Organic metalloid salts Organic oxoanionic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Not available
• Substituents: Tricarboxylic 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
• Description: This compound belongs to the class of organic compounds known as tricarboxylic acids and derivatives. These are carboxylic acids containing exactly three 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

Chemical and Physical Properties

• Sensitivity: Moisture sensitive
• Melt Point(°C): 93-98 °C
• Molecular Weight: 262.089 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 6
• Exact Mass: 262.146 Da
• Monoisotopic Mass: 262.146 Da
• Topological Polar Surface Area: 78.900 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 206.000
• 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: 2

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