Monoperoxyphthalic acid magnesium salt hexahydrate - ≥80% , CAS No.84665-66-7

CAS: 84665-66-7 Cat. No.: M304760 Molecular Weight: 494.64 EC Number: 617-608-2

GRADE & PURITY ≥80%

Synonyms

Magnesium monoperoxyphathalate hexahydrate | Monoperoxyphthalic Acid Magnesium Salt Hexahydrate | monoperoxy-phthalic acid magnesium salt hexahydrate | MMPP | C8H16MgO11 | Magnesium monoperoxyphthalate,hexahydrate | DTXSID70619587 | MAGNESIUM MONOPEROXYPH

Storage

Store at 2-8°C

Shipped In

Wet ice

Overview

It is a safer and more environmentally friendly oxidant, which is suitable as a substitute for peroxycarboxylic acid, and can carry out a variety of oxidation reactions.

Specifications

Synonyms

Magnesium monoperoxyphathalate hexahydrate | Monoperoxyphthalic Acid Magnesium Salt Hexahydrate | monoperoxy-phthalic acid magnesium salt hexahydrate | MMPP | C8H16MgO11 | Magnesium monoperoxyphthalate, hexahydrate | DTXSID70619587 | MAGNESIUM MONOPEROXYPH

Specifications & Purity

≥80%

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

≥80%

Names and Identifiers

• Pubchem Sid: 504769071
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504769071
• Canonical Smiles: C1=CC=C(C(=C1)C(=O)[O-])C(=O)O[O-].O.O.O.O.O.O.[Mg+2]
• IUPAC Name: magnesium;2-oxidooxycarbonylbenzoate;hexahydrate
• InChIKey: FODOUIXGKGNSMR-UHFFFAOYSA-L
• INCHI: 1S/C8H6O5.Mg.6H2O/c9-7(10)5-3-1-2-4-6(5)8(11)13-12;;;;;;;/h1-4,12H,(H,9,10);;6*1H2/q;+2;;;;;;/p-2
• Isomeric SMILES: C1=CC=C(C(=C1)C(=O)[O-])C(=O)O[O-].O.O.O.O.O.O.[Mg+2]
• WGK Germany: 2
• Molecular Weight: 494.64
• Reaxy-Rn: 14639102
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=14639102&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Benzoic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Peroxybenzoic acids and derivatives
• Alternative Parents: Benzoic acids Benzoyl derivatives Peroxycarboxylic acids Carboxylic acid salts Organic peroxides Carboxylic acids Organooxygen compounds Organic salts Hydrocarbon derivatives Organic cations
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Peroxybenzoate - Benzoic acid - Benzoyl - Peroxycarboxylic acid - Peroxycarboxylic acid or derivatives - Carboxylic acid salt - Organic peroxide - Carboxylic acid - Carboxylic acid derivative - Organic salt - Hydrocarbon derivative - Organooxygen compound - Organic oxide - Organic oxygen compound - Organic cation - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as peroxybenzoic acids and derivatives. These are organic compounds with a structure containing a benzoic acid or a derivative thereof.
• 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

• Melt Point(°C): 93°C
• Molecular Weight: 312.510 g/mol
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 1
• Exact Mass: 312.054 Da
• Monoisotopic Mass: 312.054 Da
• Topological Polar Surface Area: 95.500 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 207.000
• 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: 8

XLogP3