Phenylphosphonic Acid Disodium Salt Hydrate - ≥95% , CAS No.25148-85-0

CAS: 25148-85-0 Cat. No.: P160677 Molecular Weight: 202.06 PubChem CID: 12499978

GRADE & PURITY ≥95%

Synonyms

JOQAMSDLZYQHMX-UHFFFAOYSA-L | Sodium phenylphosphonate | disodium phenylphosphonate | MFCD00058972 | PHENYLPHOSPHONIC ACID DISODIUM SALT HYDRATE | Phenylphosphonic acid disodium salt hydrate, 98% | Phosphonic acid, P-phenyl-, sodium salt (1:2) | SCHEMBL64

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

JOQAMSDLZYQHMX-UHFFFAOYSA-L | Sodium phenylphosphonate | disodium phenylphosphonate | MFCD00058972 | PHENYLPHOSPHONIC ACID DISODIUM SALT HYDRATE | Phenylphosphonic acid disodium salt hydrate, 98% | Phosphonic acid, P-phenyl-, sodium salt (1:2) | SCHEMBL64

Specifications & Purity

≥95%

Storage

Room temperature

Shipped In

Normal

Purity

≥95%

Names and Identifiers

• Pubchem Sid: 488198137
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488198137
• Canonical Smiles: C1=CC=C(C=C1)P(=O)([O-])[O-].[Na+].[Na+]
• IUPAC Name: disodium;dioxido-oxo-phenyl-λ5-phosphane
• InChIKey: JOQAMSDLZYQHMX-UHFFFAOYSA-L
• INCHI: 1S/C6H7O3P.2Na/c7-10(8,9)6-4-2-1-3-5-6;;/h1-5H,(H2,7,8,9);;/q;2*+1/p-2
• Isomeric SMILES: C1=CC=C(C=C1)P(=O)([O-])[O-].[Na+].[Na+]
• PubChem CID: 12499978
• Molecular Weight: 202.06
• Reaxy-Rn: 16812744

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzene and substituted derivatives
• Alternative Parents: Organic phosphonic acids Organophosphorus compounds Organic sodium salts Organic oxides Hydrocarbon derivatives Organic cations
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Monocyclic benzene moiety - Organophosphonic acid derivative - Organophosphonic acid - Organic alkali metal salt - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organic sodium salt - Organic salt - Organophosphorus compound - Organic cation - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as benzene and substituted derivatives. These are aromatic compounds containing one monocyclic ring system consisting of benzene.
• 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

• Molecular Weight: 202.050 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 201.977 Da
• Monoisotopic Mass: 201.977 Da
• Topological Polar Surface Area: 63.200 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 134.000
• 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: 3

XLogP3