[4-(4-phosphonophenyl)phenyl]phosphonic acid - ≥97% , CAS No.13817-79-3

CAS: 13817-79-3 Cat. No.: P302528 Molecular Weight: 314.16 PubChem CID: 279154

GRADE & PURITY ≥97%

Synonyms

Phosphonic acid, P,P'-[1,1'-biphenyl]-4,4'-diylbis- | [4-(4-phosphonophenyl)phenyl]phosphonic acid | 4,4-biphenylenebis(phosphonic acid) | STL557048 | AMY28664 | DTXSID10299327 | 4,4'-biphenyldiphosphonic acid | 4,4'-biphenyl-diphosphonic acid | BBL103238

Storage

Room temperature,Desiccated

Shipped In

Normal

Overview

application：

These products are used as linkers to improve adhesion between coatings and metal surfaces. The phosphonic acid groups can graft onto metal surface while the hydroxyl groups react with common epoxy/amine-based paints.

Specifications

Synonyms

Phosphonic acid, P, P'-[1, 1'-biphenyl]-4, 4'-diylbis- | [4-(4-phosphonophenyl)phenyl]phosphonic acid | 4, 4-biphenylenebis(phosphonic acid) | STL557048 | AMY28664 | DTXSID10299327 | 4, 4'-biphenyldiphosphonic acid | 4, 4'-biphenyl-diphosphonic acid | BBL103238

Specifications & Purity

≥97%

Storage

Room temperature, Desiccated

Shipped In

Normal

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 488189221
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488189221
• Canonical Smiles: C1=CC(=CC=C1C2=CC=C(C=C2)P(=O)(O)O)P(=O)(O)O
• IUPAC Name: [4-(4-phosphonophenyl)phenyl]phosphonic acid
• InChIKey: QWSZMKCGMDROKE-UHFFFAOYSA-N
• INCHI: 1S/C12H12O6P2/c13-19(14,15)11-5-1-9(2-6-11)10-3-7-12(8-4-10)20(16,17)18/h1-8H,(H2,13,14,15)(H2,16,17,18)
• Isomeric SMILES: C1=CC(=CC=C1C2=CC=C(C=C2)P(=O)(O)O)P(=O)(O)O
• PubChem CID: 279154
• Molecular Weight: 314.16

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Biphenyls and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Biphenyls and derivatives
• Alternative Parents: Organic phosphonic acids Organopnictogen compounds Organophosphorus compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Biphenyl - Organophosphonic acid derivative - Organophosphonic acid - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organophosphorus compound - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as biphenyls and derivatives. These are organic compounds containing to benzene rings linked together by a C-C bond.
• 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: 314.170 g/mol
• XLogP3: -0.400
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 314.011 Da
• Monoisotopic Mass: 314.011 Da
• Topological Polar Surface Area: 115.000 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 372.000
• 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