Di-tert-butylphosphate potassium salt - ≥97% , CAS No.33494-80-3

CAS: 33494-80-3 Cat. No.: D169660 Molecular Weight: 248.3 EC Number: 619-702-9

GRADE & PURITY ≥97%

Synonyms

MFCD03840344 | FT-0660564 | Potassium Di-tert-butylphosphate | AMY3521 | DTXSID20635479 | SY004088 | BCP22977 | Potassium di-t-butylphosphate | EN300-7367896 | AS-10238 | C8H18KO4P | potassium;ditert-butyl phosphate | AC-7131 | NSC-264063 | SCHEMBL553768

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Synonyms

MFCD03840344 | FT-0660564 | Potassium Di-tert-butylphosphate | AMY3521 | DTXSID20635479 | SY004088 | BCP22977 | Potassium di-t-butylphosphate | EN300-7367896 | AS-10238 | C8H18KO4P | potassium;ditert-butyl phosphate | AC-7131 | NSC-264063 | SCHEMBL553768

Specifications & Purity

≥97%

Storage

Store at 2-8°C, Argon charged

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 504769592
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504769592
• Canonical Smiles: CC(C)(C)OP(=O)([O-])OC(C)(C)C.[K+]
• IUPAC Name: potassium;ditert-butyl phosphate
• InChIKey: ZSWXMOQFFWMZQH-UHFFFAOYSA-M
• INCHI: 1S/C8H19O4P.K/c1-7(2,3)11-13(9,10)12-8(4,5)6;/h1-6H3,(H,9,10);/q;+1/p-1
• Isomeric SMILES: CC(C)(C)OP(=O)([O-])OC(C)(C)C.[K+]
• WGK Germany: 3
• Molecular Weight: 248.3
• Reaxy-Rn: 4165042
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4165042&ln=

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: Organooxygen compounds Organic potassium salts Organic oxides Hydrocarbon derivatives Organic cations
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Dialkyl phosphate - Organic alkali metal salt - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organic potassium salt - Organic salt - Organooxygen compound - Organic cation - 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: Moisture sensitive
• Melt Point(°C): 247-252 °C
• Molecular Weight: 248.300 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 248.058 Da
• Monoisotopic Mass: 248.058 Da
• Topological Polar Surface Area: 58.600 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 196.000
• 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

XLogP3