Diphenic acid

Base Information

• Chemical Name: Diphenic acid
• CAS No.: 482-05-3
• Deprecated CAS: 147801-91-0
• Molecular Formula: C14H10O4
• Molecular Weight: 242.23
• Hs Code.: 29173980
• European Community (EC) Number: 207-576-4
• NSC Number: 1966
• UNII: QY5X735ZIM
• DSSTox Substance ID: DTXSID0060064
• Nikkaji Number: J5.783E
• Wikipedia: Diphenic_acid
• Wikidata: Q15632900
• Metabolomics Workbench ID: 53923
• ChEMBL ID: CHEMBL79411
• Mol file: 482-05-3.mol

Synonyms:1,1'-biphenyl-2,2'-dicarboxylate;2,2'-diphenic acid;diphenic acid

Chemical Property of Diphenic acid

Chemical Property:

• Appearance/Colour: Off-white powder
• Vapor Pressure: 6.65E-08mmHg at 25°C
• Melting Point: 227-229 °C(lit.)
• Refractive Index: 1.5389 (estimate)
• Boiling Point: 422.805 °C at 760 mmHg
• PKA: pKa 3.20(H2O t=23.0) (Uncertain);5.06(H2O t=23.0) (Uncertain)
• Flash Point: 223.651 °C
• PSA: 74.60000
• Density: 1.347 g/cm³
• LogP: 2.75000
• Storage Temp.: Store below +30°C.
• Solubility.: almost transparency in Methanol
• Water Solubility.: insoluble (20 ºC)
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 242.05790880
• Heavy Atom Count: 18
• Complexity: 294

Purity/Quality:

99% ^*data from raw suppliers

Diphenic acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-37/39-37

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Other Classes -> Benzoic Acid Derivatives
• Canonical SMILES: C1=CC=C(C(=C1)C2=CC=CC=C2C(=O)O)C(=O)O
• Description: 2,2’Dicarboxybiphenyl acid is also known as diphenic acid, being a useful pharmaceutical intermediate and used in the synthesis of dyes. Diphenic acid derivatives have attracted great attention due to its possession of useful therapeutic properties. Many diphenic acids derivatives have the potential of lowering the risk of chronic diseases such as cancer, cardiovascular diseases and other pathologies. It is applied in many herbs and components of food. Diphenic acids derivatives can usually be found in fruits like blackberry, raspberry and strawberry.