Tributyl(ethyl)phosphonium diethylphosphate - ≥95% , CAS No.20445-94-7

CAS: 20445-94-7 Cat. No.: T282000 Molecular Weight: 384.47 EC Number: 801-347-8 PubChem CID: 60196373

GRADE & PURITY ≥95%

Synonyms

MFCD17018975 | tributylethylphosphonium diethylphosphate | tributylethylphosphonium diethylphosphate | diethyl phosphate | tributyl(ethyl)phosphanium | D92728 | Ethyltributylphosphonium diethylphosphate | NCGC00260163-01 | Tributyl(ethyl)phosphonium dieth

Storage

Room temperature,Argon charged,Cool

Shipped In

Normal

Specifications

Synonyms

MFCD17018975 | tributylethylphosphonium diethylphosphate | tributylethylphosphonium diethylphosphate | diethyl phosphate | tributyl(ethyl)phosphanium | D92728 | Ethyltributylphosphonium diethylphosphate | NCGC00260163-01 | Tributyl(ethyl)phosphonium dieth

Specifications & Purity

≥95%

Storage

Room temperature, Argon charged, Cool

Shipped In

Normal

Purity

≥95%

Names and Identifiers

• Canonical Smiles: CCCC[P+](CC)(CCCC)CCCC.CCOP(=O)([O-])OCC
• IUPAC Name: diethyl phosphate;tributyl(ethyl)phosphanium
• InChIKey: RDCTYOLAEUHRGG-UHFFFAOYSA-M
• INCHI: 1S/C14H32P.C4H11O4P/c1-5-9-12-15(8-4,13-10-6-2)14-11-7-3;1-3-7-9(5,6)8-4-2/h5-14H2,1-4H3;3-4H2,1-2H3,(H,5,6)/q+1;/p-1
• Isomeric SMILES: CCCC[P+](CC)(CCCC)CCCC.CCOP(=O)([O-])OCC
• PubChem CID: 60196373
• Molecular Weight: 384.47

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Organic phosphoric acids and derivatives
      • Subclass Phosphate esters
        • Level5 Alkyl phosphates
          • Level6 Dialkyl phosphates

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Organic phosphoric acids and derivatives
• Subclass: Phosphate esters
• Intermediate Tree Nodes: Alkyl phosphates
• Direct Parent: Dialkyl phosphates
• Alternative Parents: Tetraalkylphosphonium compounds Organopnictogen compounds Organooxygen compounds Organic salts Organic oxides Hydrocarbon derivatives
• Molecular Framework: Not available
• Substituents: Dialkyl phosphate - Tetraalkylphosphonium compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organic salt - Organophosphorus compound - Organooxygen compound - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as dialkyl phosphates. These are organic compounds containing a phosphate group that is linked to exactly two alkyl chain.
• 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: hygroscopic；Moisture sensitive
• Refractive Index: 1.47
• Molecular Weight: 384.500 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 14
• Exact Mass: 384.256 Da
• Monoisotopic Mass: 384.256 Da
• Topological Polar Surface Area: 58.600 Ų
• Heavy Atom Count: 24
• Formal Charge: 0
• Complexity: 204.000
• 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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