Sodium Methyl Sulfate - ≥98%(T) , CAS No.512-42-5

CAS: 512-42-5 Cat. No.: S161073 Molecular Weight: 134.08 EC Number: 208-142-7 PubChem CID: 2735086

GRADE & PURITY ≥98%(T)

Synonyms

sodium;methyl sulfate | Methyl sulfate, sodium salt | Sulfuric acid, monomethyl ester, sodium salt (1:1) | D91331 | CAS-512-42-5 | M0433 | Methyl sodium sulfate | Sodium methyl sulphate | FT-0632257 | Tox21_301316 | Sodium methyl sulfate | Sodium monometh

Storage

Argon charged,Room temperature

Shipped In

Normal

Overview

Reactants or reagents for the following processes:

Study on the lamellar structure of hybrid nanomaterials prepared by microemulsion method

EPR study on radical ions produced by ionic liquid radiolysis

Synthesis of hydroxyaniline quinoline derivatives as RET kinase inhibitors

Microcellular studies, especially the hydrolysis retardation of 1-benzoyl-1,2,4-triazoles and the self-assembly / microstructure of mixed micelles

Specifications

Synonyms

sodium;methyl sulfate | Methyl sulfate, sodium salt | Sulfuric acid, monomethyl ester, sodium salt (1:1) | D91331 | CAS-512-42-5 | M0433 | Methyl sodium sulfate | Sodium methyl sulphate | FT-0632257 | Tox21_301316 | Sodium methyl sulfate | Sodium monometh

Specifications & Purity

≥98%(T)

Storage

Argon charged, Room temperature

Shipped In

Normal

Purity

≥98%(T)

Names and Identifiers

• Pubchem Sid: 504761240
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504761240
• Canonical Smiles: COS(=O)(=O)[O-].[Na+]
• IUPAC Name: sodium;methyl sulfate
• InChIKey: DZXBHDRHRFLQCJ-UHFFFAOYSA-M
• INCHI: 1S/CH4O4S.Na/c1-5-6(2,3)4;/h1H3,(H,2,3,4);/q;+1/p-1
• Isomeric SMILES: COS(=O)(=O)[O-].[Na+]
• PubChem CID: 2735086
• Molecular Weight: 134.08
• Reaxy-Rn: 4016974

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Organic sulfuric acids and derivatives
      • Subclass Sulfuric acid esters

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Organic sulfuric acids and derivatives
• Subclass: Sulfuric acid esters
• Intermediate Tree Nodes: Not available
• Direct Parent: Sulfuric acid monoesters
• Alternative Parents: Alkyl sulfates Organooxygen compounds Organic sodium salts Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Alkyl sulfate - Sulfate-ester - Sulfuric acid monoester - Organic alkali metal salt - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organic sodium salt - Organic salt - Organooxygen compound - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as sulfuric acid monoesters. These are organic compounds containing the sulfuric acid monoester functional group, with the generic structure ROS(O)(=O)=O, (R=organyl group).
• 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

• Sensitivity: Easy to absorb moisture
• Melt Point(°C): 210°C
• Molecular Weight: 134.090 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 133.965 Da
• Monoisotopic Mass: 133.965 Da
• Topological Polar Surface Area: 74.800 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 108.000
• 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: 2

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