n-Octylphosphonic Acid（OPA） - ≥98%(T) , CAS No.4724-48-5

CAS: 4724-48-5 Cat. No.: N159772 Molecular Weight: 194.21 EC Number: 225-218-5

GRADE & PURITY ≥98%(T)

Synonyms

N-t-Butyloxycarbonyl-L-phenylalanine | EC 225-218-5 | EN300-1697170 | Toluene, 3,5-dimethoxy- | 1-Octanephosphonic acid | EINECS 225-218-5 | NCGC00256096-01 | DTXSID3044679 | F8889-2764 | MFCD00015841 | Octylphosphonic acid, 97% | 1H-Benzotriazole, 5,6-di

Storage

Room temperature,Desiccated,Cool

Shipped In

Normal

Overview

Octylphosphonic acid (OPA) forms a self-assembled monolayer (SAM), which serves as a protective anti-corrosive phosphonate layer on a variety of surfaces.
Application
OPA can be used as a surfactant that may be added to silver (Ag)/titanium oxide (TiO2) for uniform dispersion into the polymeric matrix. It may be coated on indium-tin oxide (ITO) substrates, which can be used for super-resolution microscopy. OPA based charge blocking layer may be used to prevent leakage of current in a hybrid dielectric film.

Specifications

Synonyms

N-t-Butyloxycarbonyl-L-phenylalanine | EC 225-218-5 | EN300-1697170 | Toluene, 3, 5-dimethoxy- | 1-Octanephosphonic acid | EINECS 225-218-5 | NCGC00256096-01 | DTXSID3044679 | F8889-2764 | MFCD00015841 | Octylphosphonic acid, 97% | 1H-Benzotriazole, 5, 6-di

Specifications & Purity

≥98%(T)

Storage

Room temperature, Desiccated, Cool

Shipped In

Normal

Purity

≥98%(T)

Names and Identifiers

• Pubchem Sid: 488185579
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488185579
• Canonical Smiles: CCCCCCCCP(=O)(O)O
• IUPAC Name: octylphosphonic acid
• InChIKey: NJGCRMAPOWGWMW-UHFFFAOYSA-N
• INCHI: 1S/C8H19O3P/c1-2-3-4-5-6-7-8-12(9,10)11/h2-8H2,1H3,(H2,9,10,11)
• Isomeric SMILES: CCCCCCCCP(=O)(O)O
• WGK Germany: 2
• Molecular Weight: 194.21
• Reaxy-Rn: 1764242
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1764242&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Organic phosphonic acids and derivatives
      • Subclass Organic phosphonic acids

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Organic phosphonic acids and derivatives
• Subclass: Organic phosphonic acids
• Intermediate Tree Nodes: Not available
• Direct Parent: Organic phosphonic acids
• Alternative Parents: Organopnictogen compounds Organophosphorus compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Organophosphonic acid - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organophosphorus compound - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as organic phosphonic acids. These are organic compounds containing phosphonic acid.
• 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

• Solubility: Slightly soluble in organic solvents and water.
• Melt Point(°C): 102-103°C
• Molecular Weight: 194.210 g/mol
• XLogP3: 1.800
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 7
• Exact Mass: 194.107 Da
• Monoisotopic Mass: 194.107 Da
• Topological Polar Surface Area: 57.500 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 141.000
• 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: 1

References

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