Sodium phenyl phosphate dibasic dihydrate - ≥95% , CAS No.66778-08-3

CAS: 66778-08-3 Cat. No.: S463665 Molecular Weight: 254.09 PubChem CID: 16219897

GRADE & PURITY ≥95%

Synonyms

Disodium phenyl phosphate dihydrate, Phenyl phosphate disodium salt

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonyms

Disodium phenyl phosphate dihydrate, Phenyl phosphate disodium salt

Specifications & Purity

≥95%

Storage

Store at 2-8°C

Shipped In

Wet ice

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

Purity

≥95%

Names and Identifiers

• Pubchem Sid: 504768409
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504768409
• Canonical Smiles: C1=CC=C(C=C1)OP(=O)([O-])[O-].O.O.[Na+].[Na+]
• IUPAC Name: disodium;phenyl phosphate;dihydrate
• InChIKey: JAMYCGIOWIBSRT-UHFFFAOYSA-L
• INCHI: 1S/C6H7O4P.2Na.2H2O/c7-11(8,9)10-6-4-2-1-3-5-6;;;;/h1-5H,(H2,7,8,9);;;2*1H2/q;2*+1;;/p-2
• Isomeric SMILES: C1=CC=C(C=C1)OP(=O)([O-])[O-].O.O.[Na+].[Na+]
• WGK Germany: 3
• PubChem CID: 16219897
• Molecular Weight: 254.09

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Organic phosphoric acids and derivatives
      • Subclass Phosphate esters
        • Level5 Aryl phosphates
          • Level6 Aryl phosphomonoesters
            • Level7 Phenyl phosphates

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Organic phosphoric acids and derivatives
• Subclass: Phosphate esters
• Intermediate Tree Nodes: Aryl phosphates - Aryl phosphomonoesters
• Direct Parent: Phenyl phosphates
• Alternative Parents: Phenoxy compounds Organooxygen compounds Organic sodium salts Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenyl phosphate - Phenoxy compound - Benzenoid - Monocyclic benzene moiety - Organic alkali metal salt - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organic sodium salt - Organic salt - Organooxygen compound - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as phenyl phosphates. These are aromatic organooxygen compounds containing a phosphate group, which is O-esterified with a phenyl group.
• 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
• Molecular Weight: 254.090 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 1
• Exact Mass: 253.993 Da
• Monoisotopic Mass: 253.993 Da
• Topological Polar Surface Area: 74.400 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 146.000
• 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: 5

XLogP3